2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate

C21H16NO3- — CID 4052008

IUPAC2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate
SMILESCc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-]
InChIInChI=1S/C21H17NO3/c1-14-8-2-7-13-19(14)22-20(23)17-11-5-3-9-15(17)16-10-4-6-12-18(16)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/p-1
InChIKeyPBTZYSLIGDMBKI-UHFFFAOYSA-M
MW330.36 g/mol
LogP3.28
Rot. Bonds4

About 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate

2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate (PubChem CID 4052008) has the molecular formula C21H16NO3- and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate.

Molecular Properties

Compound Name2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate
PubChem CID4052008
Molecular FormulaC21H16NO3-
Molecular Weight330.36 g/mol
Exact Mass330.11
IUPAC Name2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate
SMILESCc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-]
InChIInChI=1S/C21H17NO3/c1-14-8-2-7-13-19(14)22-20(23)17-11-5-3-9-15(17)16-10-4-6-12-18(16)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/p-1
InChIKeyPBTZYSLIGDMBKI-UHFFFAOYSA-M
XLogP3.28
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoic acid
CID 777419
2-[(2,3-dimethylphenyl)carbamoyl]benzoate
CID 6950917
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate
CID 9326527
2-[[4-[4-[(2-carboxylatobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoate
CID 6962175
N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
1,2,5-trimethyl-N-(2-methylphenyl)pyrrole-3-carboxamide
CID 9182741
1-hydroxy-4-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 20719420
2-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2225644
2-[2-(methanesulfonamido)phenyl]benzoate
CID 171730361

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate?
The IUPAC name of 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate (CID 4052008) is 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate.
What is the SMILES notation for 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate?
The canonical SMILES for 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate is Cc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-].
What is the InChIKey of 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate?
The InChIKey is PBTZYSLIGDMBKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H17NO3/c1-14-8-2-7-13-19(14)22-20(23)17-11-5-3-9-15(17)16-10-4-6-12-18(16)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/p-1.
What are the key properties of 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate?
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate has a molecular weight of 330.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate is sourced from PubChem (CID 4052008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).