3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide

C24H16ClFN2O — CID 46090638

IUPAC3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1cccc(Cl)c1
InChIInChI=1S/C24H16ClFN2O/c25-19-6-1-5-18(14-19)24(29)27-21-7-2-4-17(15-21)23-9-3-8-22(28-23)16-10-12-20(26)13-11-16/h1-15H,(H,27,29)
InChIKeyYCZSLQOJCGDIAK-UHFFFAOYSA-N
MW402.86 g/mol
LogP6.46
Rot. Bonds4

About 3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide

3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide (PubChem CID 46090638) has the molecular formula C24H16ClFN2O and a molecular weight of 402.86 g/mol. Its IUPAC name is 3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide
PubChem CID46090638
Molecular FormulaC24H16ClFN2O
Molecular Weight402.86 g/mol
Exact Mass402.09
IUPAC Name3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1cccc(Cl)c1
InChIInChI=1S/C24H16ClFN2O/c25-19-6-1-5-18(14-19)24(29)27-21-7-2-4-17(15-21)23-9-3-8-22(28-23)16-10-12-20(26)13-11-16/h1-15H,(H,27,29)
InChIKeyYCZSLQOJCGDIAK-UHFFFAOYSA-N
XLogP6.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.86
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 1369981
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3-chloro-N-pyridin-4-ylbenzamide
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3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
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3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506297
3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 110872324
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-[3-[(5R)-4-acetyl-5-(4-fluorophenyl)-5-methyl-1,3,4-oxadiazol-2-yl]phenyl]-3-chlorobenzamide
CID 95063965
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide (CID 46090638) is 3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide is O=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide?
The InChIKey is YCZSLQOJCGDIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN2O/c25-19-6-1-5-18(14-19)24(29)27-21-7-2-4-17(15-21)23-9-3-8-22(28-23)16-10-12-20(26)13-11-16/h1-15H,(H,27,29).
What are the key properties of 3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide?
3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide has a molecular weight of 402.86 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide is sourced from PubChem (CID 46090638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).