N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide

C102H102ClF5N8O9 — CID 167631163

IUPACN-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
SMILESCCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3ccc(Cl)nc3)cc2)cc1F.CCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2)cc1F.CCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cc2)cc1F
InChIInChI=1S/C26H27FN2O3.C26H27FN2O2.C25H24ClFN2O2.C25H24F2N2O2/c1-4-25(31)29(5-2)23-14-12-21(17-22(23)27)18-8-10-19(11-9-18)24(30)15-13-20-7-6-16-28-26(20)32-3;1-4-26(31)29(5-2)24-14-13-22(16-23(24)27)20-9-11-21(12-10-20)25(30)15-8-19-7-6-18(3)28-17-19;1-3-25(31)29(4-2)22-12-11-20(15-21(22)27)18-7-9-19(10-8-18)23(30)13-5-17-6-14-24(26)28-16-17;1-3-25(31)29(4-2)22-12-11-20(15-21(22)26)18-7-9-19(10-8-18)23(30)13-5-17-6-14-24(27)28-16-17/h6-12,14,16-17H,4-5,13,15H2,1-3H3;6-7,9-14,16-17H,4-5,8,15H2,1-3H3;2*6-12,14-16H,3-5,13H2,1-2H3
InChIKeyNUYVBICDRKODSS-UHFFFAOYSA-N
MW1714.43 g/mol
LogP22.97
Rot. Bonds33

About N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide

N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide (PubChem CID 167631163) has the molecular formula C102H102ClF5N8O9 and a molecular weight of 1714.43 g/mol. Its IUPAC name is N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
PubChem CID167631163
Molecular FormulaC102H102ClF5N8O9
Molecular Weight1714.43 g/mol
Exact Mass1712.74
IUPAC NameN-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
SMILESCCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3ccc(Cl)nc3)cc2)cc1F.CCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2)cc1F.CCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cc2)cc1F
InChIInChI=1S/C26H27FN2O3.C26H27FN2O2.C25H24ClFN2O2.C25H24F2N2O2/c1-4-25(31)29(5-2)23-14-12-21(17-22(23)27)18-8-10-19(11-9-18)24(30)15-13-20-7-6-16-28-26(20)32-3;1-4-26(31)29(5-2)24-14-13-22(16-23(24)27)20-9-11-21(12-10-20)25(30)15-8-19-7-6-18(3)28-17-19;1-3-25(31)29(4-2)22-12-11-20(15-21(22)27)18-7-9-19(10-8-18)23(30)13-5-17-6-14-24(26)28-16-17;1-3-25(31)29(4-2)22-12-11-20(15-21(22)26)18-7-9-19(10-8-18)23(30)13-5-17-6-14-24(27)28-16-17/h6-12,14,16-17H,4-5,13,15H2,1-3H3;6-7,9-14,16-17H,4-5,8,15H2,1-3H3;2*6-12,14-16H,3-5,13H2,1-2H3
InChIKeyNUYVBICDRKODSS-UHFFFAOYSA-N
XLogP22.97
TPSA210.31 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds33
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001714.43
LogP ≤ 522.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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

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Related Compounds

N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide
CID 167655500
N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]-2-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]-2-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-methyl-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167663575
N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
CID 167703477
N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide
CID 167607738
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-2-hydroxyphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-hydroxyphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-hydroxy-4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167671290
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167542746
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide
CID 167667597
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide
CID 167554100
4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide
CID 167655548
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167711956
3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
CID 167616697
N-[2-fluoro-4-[3-hydroxy-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167660370

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide?
The IUPAC name of N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide (CID 167631163) is N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide?
The canonical SMILES for N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide is CCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3ccc(Cl)nc3)cc2)cc1F.CCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2)cc1F.CCC(=O)N(CC)c1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cc2)cc1F.
What is the InChIKey of N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide?
The InChIKey is NUYVBICDRKODSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O3.C26H27FN2O2.C25H24ClFN2O2.C25H24F2N2O2/c1-4-25(31)29(5-2)23-14-12-21(17-22(23)27)18-8-10-19(11-9-18)24(30)15-13-20-7-6-16-28-26(20)32-3;1-4-26(31)29(5-2)24-14-13-22(16-23(24)27)20-9-11-21(12-10-20)25(30)15-8-19-7-6-18(3)28-17-19;1-3-25(31)29(4-2)22-12-11-20(15-21(22)27)18-7-9-19(10-8-18)23(30)13-5-17-6-14-24(26)28-16-17;1-3-25(31)29(4-2)22-12-11-20(15-21(22)26)18-7-9-19(10-8-18)23(30)13-5-17-6-14-24(27)28-16-17/h6-12,14,16-17H,4-5,13,15H2,1-3H3;6-7,9-14,16-17H,4-5,8,15H2,1-3H3;2*6-12,14-16H,3-5,13H2,1-2H3.
What are the key properties of N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide?
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide has a molecular weight of 1714.43 g/mol, XLogP of 22.97, 33 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide is sourced from PubChem (CID 167631163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).