2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid

C16H14ClNO3 — CID 43399775

IUPAC2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H14ClNO3/c1-18(10-11-6-8-12(17)9-7-11)15(19)13-4-2-3-5-14(13)16(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKeyHKZCWKGYDNKJAW-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.31
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid

2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid (PubChem CID 43399775) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
PubChem CID43399775
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H14ClNO3/c1-18(10-11-6-8-12(17)9-7-11)15(19)13-4-2-3-5-14(13)16(20)21/h2-9H,10H2,1H3,(H,20,21)
InChIKeyHKZCWKGYDNKJAW-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid 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-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
1,4-dichlorobenzene;phthalic acid
CID 146444395
2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 55358384
5-[(4-chlorophenyl)methyl-methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820663
1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea
CID 580681
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118647

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid (CID 43399775) is 2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid is CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid?
The InChIKey is HKZCWKGYDNKJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-18(10-11-6-8-12(17)9-7-11)15(19)13-4-2-3-5-14(13)16(20)21/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid?
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid has a molecular weight of 303.75 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid is sourced from PubChem (CID 43399775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).