benzyl 2-[(3-methylbenzoyl)amino]benzoate

C22H19NO3 — CID 956272

IUPACbenzyl 2-[(3-methylbenzoyl)amino]benzoate
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)OCc2ccccc2)c1
InChIInChI=1S/C22H19NO3/c1-16-8-7-11-18(14-16)21(24)23-20-13-6-5-12-19(20)22(25)26-15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,24)
InChIKeyYSKSFJIAAMTSKR-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.60
Rot. Bonds5

About benzyl 2-[(3-methylbenzoyl)amino]benzoate

benzyl 2-[(3-methylbenzoyl)amino]benzoate (PubChem CID 956272) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is benzyl 2-[(3-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namebenzyl 2-[(3-methylbenzoyl)amino]benzoate
PubChem CID956272
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Namebenzyl 2-[(3-methylbenzoyl)amino]benzoate
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)OCc2ccccc2)c1
InChIInChI=1S/C22H19NO3/c1-16-8-7-11-18(14-16)21(24)23-20-13-6-5-12-19(20)22(25)26-15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,24)
InChIKeyYSKSFJIAAMTSKR-UHFFFAOYSA-N
XLogP4.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl 2-[(3-methylbenzoyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate
CID 46678769
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7982581
(4-iodophenyl)methyl 2-benzamidobenzoate
CID 4601230
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42976841
(4-carbamoylphenyl)methyl 2-benzamidobenzoate
CID 17410103
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7457283
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate
CID 55533338
N-[2-(chloromethyl)phenyl]-3-methylbenzamide
CID 113271945
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42981396
ethyl 2-[[2-[(3-methylphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109169893

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(3-methylbenzoyl)amino]benzoate?
The IUPAC name of benzyl 2-[(3-methylbenzoyl)amino]benzoate (CID 956272) is benzyl 2-[(3-methylbenzoyl)amino]benzoate.
What is the SMILES notation for benzyl 2-[(3-methylbenzoyl)amino]benzoate?
The canonical SMILES for benzyl 2-[(3-methylbenzoyl)amino]benzoate is Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 2-[(3-methylbenzoyl)amino]benzoate?
The InChIKey is YSKSFJIAAMTSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-16-8-7-11-18(14-16)21(24)23-20-13-6-5-12-19(20)22(25)26-15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of benzyl 2-[(3-methylbenzoyl)amino]benzoate?
benzyl 2-[(3-methylbenzoyl)amino]benzoate has a molecular weight of 345.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(3-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 956272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).