N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide

C25H19ClN2O — CID 90885243

IUPACN-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H19ClN2O/c1-17-7-8-21(25(29)28-24-14-13-22(26)16-27-24)15-23(17)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-16H,1H3,(H,27,28,29)
InChIKeyDWXKCZODMODTLJ-UHFFFAOYSA-N
MW398.89 g/mol
LogP6.63
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide

N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide (PubChem CID 90885243) has the molecular formula C25H19ClN2O and a molecular weight of 398.89 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
PubChem CID90885243
Molecular FormulaC25H19ClN2O
Molecular Weight398.89 g/mol
Exact Mass398.12
IUPAC NameN-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H19ClN2O/c1-17-7-8-21(25(29)28-24-14-13-22(26)16-27-24)15-23(17)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-16H,1H3,(H,27,28,29)
InChIKeyDWXKCZODMODTLJ-UHFFFAOYSA-N
XLogP6.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.89
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide (CID 90885243) is N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide?
The InChIKey is DWXKCZODMODTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O/c1-17-7-8-21(25(29)28-24-14-13-22(26)16-27-24)15-23(17)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-16H,1H3,(H,27,28,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide?
N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide has a molecular weight of 398.89 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide is sourced from PubChem (CID 90885243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).