methyl 4-[benzyl(phenyl)carbamoyl]benzoate

C22H19NO3 — CID 24819418

IUPACmethyl 4-[benzyl(phenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-26-22(25)19-14-12-18(13-15-19)21(24)23(20-10-6-3-7-11-20)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyFUVHUXFTSPXZJE-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.32
Rot. Bonds5

About methyl 4-[benzyl(phenyl)carbamoyl]benzoate

methyl 4-[benzyl(phenyl)carbamoyl]benzoate (PubChem CID 24819418) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 4-[benzyl(phenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[benzyl(phenyl)carbamoyl]benzoate
PubChem CID24819418
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Namemethyl 4-[benzyl(phenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-26-22(25)19-14-12-18(13-15-19)21(24)23(20-10-6-3-7-11-20)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyFUVHUXFTSPXZJE-UHFFFAOYSA-N
XLogP4.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-[benzyl(phenyl)carbamoyl]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

N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-benzyl-4-bromo-N-phenylbenzamide
CID 15817231
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
N-benzyl-4-(dimethylsulfamoyl)-N-phenylbenzamide
CID 26731454
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170
methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate
CID 90570118
methyl 4-[(N-(4-ethylpiperazine-1-carbonyl)anilino)methyl]benzoate
CID 134584602
1-N-benzyl-1-N,4-N-diethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047506
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
methyl 4-[(N-(4,4-difluoropiperidine-1-carbonyl)anilino)methyl]benzoate
CID 134584224
methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate
CID 142934382
methyl 4-[benzyl-(4-chloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 41109852

Frequently Asked Questions

What is the IUPAC name of methyl 4-[benzyl(phenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[benzyl(phenyl)carbamoyl]benzoate (CID 24819418) is methyl 4-[benzyl(phenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[benzyl(phenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[benzyl(phenyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[benzyl(phenyl)carbamoyl]benzoate?
The InChIKey is FUVHUXFTSPXZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-26-22(25)19-14-12-18(13-15-19)21(24)23(20-10-6-3-7-11-20)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3.
What are the key properties of methyl 4-[benzyl(phenyl)carbamoyl]benzoate?
methyl 4-[benzyl(phenyl)carbamoyl]benzoate has a molecular weight of 345.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[benzyl(phenyl)carbamoyl]benzoate is sourced from PubChem (CID 24819418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).