4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide

C24H17ClFN3O2 — CID 11575661

IUPAC4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccn4)c(F)c3)c2)cn1
InChIInChI=1S/C24H17ClFN3O2/c1-31-23-10-7-17(14-28-23)29-24(30)16-6-9-20(25)19(12-16)15-5-8-18(21(26)13-15)22-4-2-3-11-27-22/h2-14H,1H3,(H,29,30)
InChIKeyCYVGWTPJUKCRTK-UHFFFAOYSA-N
MW433.87 g/mol
LogP5.86
Rot. Bonds5

About 4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide

4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 11575661) has the molecular formula C24H17ClFN3O2 and a molecular weight of 433.87 g/mol. Its IUPAC name is 4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID11575661
Molecular FormulaC24H17ClFN3O2
Molecular Weight433.87 g/mol
Exact Mass433.10
IUPAC Name4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccn4)c(F)c3)c2)cn1
InChIInChI=1S/C24H17ClFN3O2/c1-31-23-10-7-17(14-28-23)29-24(30)16-6-9-20(25)19(12-16)15-5-8-18(21(26)13-15)22-4-2-3-11-27-22/h2-14H,1H3,(H,29,30)
InChIKeyCYVGWTPJUKCRTK-UHFFFAOYSA-N
XLogP5.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.87
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-Chlorobenzoyl)amino]-2-methoxy-1-pyridiniumolate
CID 1487355
N-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58921211
(3R,5R)-1-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-3-carboxamide
CID 134806411
[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]-[2-(3-methoxyphenyl)-4-pyridinyl]methanone
CID 137635009
4-chloro-N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxy-4-pyridinyl]cyclohexyl]propyl]benzamide
CID 164609257
4-chloro-N-[(1R)-1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]benzamide
CID 164618143
4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide
CID 164622087
2-(2,4-dichlorophenyl)-N-(6-methoxypyridin-3-yl)acetamide
CID 2511803
2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
CID 24237384
N-[4-(8-acetamidoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide
CID 44583625
N-[3-(8-acetamidoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide
CID 44583627
2-chloro-N-[4-[[(2-methoxy-5-methylpyridin-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide (CID 11575661) is 4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccn4)c(F)c3)c2)cn1.
What is the InChIKey of 4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is CYVGWTPJUKCRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O2/c1-31-23-10-7-17(14-28-23)29-24(30)16-6-9-20(25)19(12-16)15-5-8-18(21(26)13-15)22-4-2-3-11-27-22/h2-14H,1H3,(H,29,30).
What are the key properties of 4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide?
4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 433.87 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-fluoro-4-pyridin-2-ylphenyl)-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 11575661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).