N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide

C98H94Cl5FN8O9 — CID 167539617

IUPACN-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)c(Cl)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)c(Cl)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)c(Cl)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)c(Cl)c2)cc1
InChIInChI=1S/C25H25ClN2O3.C25H25ClN2O2.C24H22Cl2N2O2.C24H22ClFN2O2/c1-4-25(30)28(2)20-10-7-18(8-11-20)19-9-12-21(22(26)15-19)23(29)13-5-17-6-14-24(31-3)27-16-17;1-4-25(30)28(3)21-11-8-19(9-12-21)20-10-13-22(23(26)15-20)24(29)14-7-18-6-5-17(2)27-16-18;2*1-3-23(30)28(2)19-10-6-16(7-11-19)18-8-12-20(21(25)15-18)22(29)13-9-17-5-4-14-27-24(17)26/h6-12,14-16H,4-5,13H2,1-3H3;5-6,8-13,15-16H,4,7,14H2,1-3H3;2*4-8,10-12,14-15H,3,9,13H2,1-2H3
InChIKeyAZRPTOWRRHIUKS-UHFFFAOYSA-N
MW1724.14 g/mol
LogP23.47
Rot. Bonds29

About N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide

N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide (PubChem CID 167539617) has the molecular formula C98H94Cl5FN8O9 and a molecular weight of 1724.14 g/mol. Its IUPAC name is N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
PubChem CID167539617
Molecular FormulaC98H94Cl5FN8O9
Molecular Weight1724.14 g/mol
Exact Mass1720.56
IUPAC NameN-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)c(Cl)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)c(Cl)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)c(Cl)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)c(Cl)c2)cc1
InChIInChI=1S/C25H25ClN2O3.C25H25ClN2O2.C24H22Cl2N2O2.C24H22ClFN2O2/c1-4-25(30)28(2)20-10-7-18(8-11-20)19-9-12-21(22(26)15-19)23(29)13-5-17-6-14-24(31-3)27-16-17;1-4-25(30)28(3)21-11-8-19(9-12-21)20-10-13-22(23(26)15-20)24(29)14-7-18-6-5-17(2)27-16-18;2*1-3-23(30)28(2)19-10-6-16(7-11-19)18-8-12-20(21(25)15-18)22(29)13-9-17-5-4-14-27-24(17)26/h6-12,14-16H,4-5,13H2,1-3H3;5-6,8-13,15-16H,4,7,14H2,1-3H3;2*4-8,10-12,14-15H,3,9,13H2,1-2H3
InChIKeyAZRPTOWRRHIUKS-UHFFFAOYSA-N
XLogP23.47
TPSA210.31 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001724.14
LogP ≤ 523.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide with MolForge

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Related Compounds

2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1-cyclohexyl-2-methylpropan-1-one;1-cyclopropyl-2-methylpropan-1-one;1,3-dichloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yloxybenzene;methane;2-methyl-1-phenylpropan-1-one;N-methyl-N-propan-2-ylaniline;1-methyl-2-propan-2-ylbenzene;2-methylpropylbenzene;3-(2-methylpropyl)pyridine;propan-2-ylcyclopentane;propan-2-yloxybenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 157814443
N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
CID 159446430
[6-[2,4-Bis(trifluoromethyl)phenyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(2,5-dichlorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(2,5-difluorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(2,3-dimethylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(2-fluoro-3-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(6-methoxy-3-pyridinyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;2-[6-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]benzonitrile
CID 159612320
[6-(2-Chloro-3-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-chloro-4-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[4-(1,1-difluoroethoxy)phenyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[4-(dimethylamino)phenyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-(3-phenylphenyl)-2-pyridinyl]methanone
CID 159674606
1-(3-Chloro-2-pyridinyl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-methylphenyl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
CID 162237562
bis(benzyl 2,2-dimethylpropanoate);tert-butylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;bis(2-tert-butyl-3-chloro-5-methylpyridine);4-tert-butyl-3-chloropyridine;4-tert-butyl-3,5-dichloropyridine;1-tert-butyl-2,3-dimethylbenzene;2-tert-butyl-1,3-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;bis(tert-butyl 2,2-dimethylpropanoate);1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-2-methoxybenzene;1-(4-tert-butylphenyl)ethanone;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-3-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;[(E)-4,4-dimethylpent-1-enyl]benzene;methane
CID 163992889
N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methoxy-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(4-methyl-2-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(3-fluoro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 167553439
(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methoxy-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-methyl-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide
CID 167665247
(3S)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-(5-chloro-3-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(5-fluoro-3-pyridinyl)propanamide;N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methoxy-3-pyridinyl)propanamide;(3R)-N-[(2S)-3-(2-chloro-4-propanoylphenyl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-(6-methyl-3-pyridinyl)propanamide
CID 167699893
N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167540497
N-[4-[2-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167559562
N-[4-[3-chloro-4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167598268

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide (CID 167539617) is N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)c(Cl)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)c(Cl)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)c(Cl)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)c(Cl)c2)cc1.
What is the InChIKey of N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide?
The InChIKey is AZRPTOWRRHIUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3.C25H25ClN2O2.C24H22Cl2N2O2.C24H22ClFN2O2/c1-4-25(30)28(2)20-10-7-18(8-11-20)19-9-12-21(22(26)15-19)23(29)13-5-17-6-14-24(31-3)27-16-17;1-4-25(30)28(3)21-11-8-19(9-12-21)20-10-13-22(23(26)15-20)24(29)14-7-18-6-5-17(2)27-16-18;2*1-3-23(30)28(2)19-10-6-16(7-11-19)18-8-12-20(21(25)15-18)22(29)13-9-17-5-4-14-27-24(17)26/h6-12,14-16H,4-5,13H2,1-3H3;5-6,8-13,15-16H,4,7,14H2,1-3H3;2*4-8,10-12,14-15H,3,9,13H2,1-2H3.
What are the key properties of N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide?
N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide has a molecular weight of 1724.14 g/mol, XLogP of 23.47, 29 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-chloro-4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide;N-[4-[3-chloro-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167539617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).