N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide

C98H85ClF3IN10O11 — CID 158130057

IUPACN-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESC.C.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(I)cc(Oc3cccnc3)c2)c1
InChIInChI=1S/C20H16F2N2O2.C19H15ClN2O2.C19H15FN2O2.C19H15IN2O2.C19H16N2O3.2CH4/c1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18;3*1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-23-16-7-2-5-14(11-16)19(22)21-15-6-3-8-17(12-15)24-18-9-4-10-20-13-18;;/h2-13H,1H3,(H,24,25);3*2-12H,1H3,(H,22,23);2-13H,1H3,(H,21,22);2*1H4
InChIKeyFSQXGORQIJJGKS-UHFFFAOYSA-N
MW1798.17 g/mol
LogP25.35
Rot. Bonds22

About N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide

N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide (PubChem CID 158130057) has the molecular formula C98H85ClF3IN10O11 and a molecular weight of 1798.17 g/mol. Its IUPAC name is N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide
PubChem CID158130057
Molecular FormulaC98H85ClF3IN10O11
Molecular Weight1798.17 g/mol
Exact Mass1796.51
IUPAC NameN-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESC.C.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(I)cc(Oc3cccnc3)c2)c1
InChIInChI=1S/C20H16F2N2O2.C19H15ClN2O2.C19H15FN2O2.C19H15IN2O2.C19H16N2O3.2CH4/c1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18;3*1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-23-16-7-2-5-14(11-16)19(22)21-15-6-3-8-17(12-15)24-18-9-4-10-20-13-18;;/h2-13H,1H3,(H,24,25);3*2-12H,1H3,(H,22,23);2-13H,1H3,(H,21,22);2*1H4
InChIKeyFSQXGORQIJJGKS-UHFFFAOYSA-N
XLogP25.35
TPSA265.33 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001798.17
LogP ≤ 525.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide with MolForge

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Related Compounds

3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 123219772
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide
CID 123258970
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
CID 123452394
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-ethynylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
CID 123486701
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-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-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123665839
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide
CID 123714417
3-chloro-5-[5-[3-[(5-chloro-2-fluorobenzoyl)amino]phenoxy]-2-pyridinyl]-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 123730188
N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 123741961
5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide;2-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[methyl(pyridin-3-yl)amino]phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 123792449
N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 123833058
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123921749
N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 123998045

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide?
The IUPAC name of N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide (CID 158130057) is N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide.
What is the SMILES notation for N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide?
The canonical SMILES for N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide is C.C.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(I)cc(Oc3cccnc3)c2)c1.
What is the InChIKey of N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide?
The InChIKey is FSQXGORQIJJGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2.C19H15ClN2O2.C19H15FN2O2.C19H15IN2O2.C19H16N2O3.2CH4/c1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18;3*1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-23-16-7-2-5-14(11-16)19(22)21-15-6-3-8-17(12-15)24-18-9-4-10-20-13-18;;/h2-13H,1H3,(H,24,25);3*2-12H,1H3,(H,22,23);2-13H,1H3,(H,21,22);2*1H4.
What are the key properties of N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide?
N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide has a molecular weight of 1798.17 g/mol, XLogP of 25.35, 22 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide is sourced from PubChem (CID 158130057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).