2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide

C27H22N2O2 — CID 17251498

IUPAC2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H22N2O2/c1-19-7-5-6-10-25(19)27(31)29-24-17-15-23(16-18-24)28-26(30)22-13-11-21(12-14-22)20-8-3-2-4-9-20/h2-18H,1H3,(H,28,30)(H,29,31)
InChIKeyDOODNFRWTMCBDO-UHFFFAOYSA-N
MW406.49 g/mol
LogP6.17
Rot. Bonds5

About 2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide

2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide (PubChem CID 17251498) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
PubChem CID17251498
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Name2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C27H22N2O2/c1-19-7-5-6-10-25(19)27(31)29-24-17-15-23(16-18-24)28-26(30)22-13-11-21(12-14-22)20-8-3-2-4-9-20/h2-18H,1H3,(H,28,30)(H,29,31)
InChIKeyDOODNFRWTMCBDO-UHFFFAOYSA-N
XLogP6.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11615814
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N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
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2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
N-(3,4-dimethylphenyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 4944335
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747772
N-(4-carbamothioylphenyl)-2-methylbenzamide
CID 24709642
N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
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2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
CID 84587288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide (CID 17251498) is 2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide?
The InChIKey is DOODNFRWTMCBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c1-19-7-5-6-10-25(19)27(31)29-24-17-15-23(16-18-24)28-26(30)22-13-11-21(12-14-22)20-8-3-2-4-9-20/h2-18H,1H3,(H,28,30)(H,29,31).
What are the key properties of 2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide?
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide has a molecular weight of 406.49 g/mol, XLogP of 6.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 17251498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).