(4-chlorophenyl)-(2-methylphenyl)carbamic acid

C14H12ClNO2 — CID 57361807

IUPAC(4-chlorophenyl)-(2-methylphenyl)carbamic acid
SMILESCc1ccccc1N(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c1-10-4-2-3-5-13(10)16(14(17)18)12-8-6-11(15)7-9-12/h2-9H,1H3,(H,17,18)
InChIKeyBYDRDROYLKCWOC-UHFFFAOYSA-N
MW261.71 g/mol
LogP4.46
Rot. Bonds2

About (4-chlorophenyl)-(2-methylphenyl)carbamic acid

(4-chlorophenyl)-(2-methylphenyl)carbamic acid (PubChem CID 57361807) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-methylphenyl)carbamic acid.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-methylphenyl)carbamic acid
PubChem CID57361807
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name(4-chlorophenyl)-(2-methylphenyl)carbamic acid
SMILESCc1ccccc1N(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c1-10-4-2-3-5-13(10)16(14(17)18)12-8-6-11(15)7-9-12/h2-9H,1H3,(H,17,18)
InChIKeyBYDRDROYLKCWOC-UHFFFAOYSA-N
XLogP4.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-chlorophenyl)-(2-methylphenyl)carbamic 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

N-(2-methylphenyl)-N-phenylcarbamoyl chloride
CID 54268950
1,1-bis(2-methylphenyl)urea
CID 3049256
N-(4-chlorophenyl)-2-methylbenzohydrazide
CID 174751857
N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
CID 138899896
2-(N-carboxy-2-methylanilino)-3-methylbenzoic acid
CID 173215689
(2-methylphenyl)-oxidocarbamic acid
CID 131721115
1-(4-chlorophenyl)-3,3-diethyl-1-phenylurea
CID 86237214
N,N-dibenzyl-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 5094263
[3-(N-carboxy-2,3-dimethylanilino)-2-methylphenyl]-(2,3-dimethylphenyl)carbamic acid
CID 174980910
1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
CID 102087600
cobalt;bis(diphenylcarbamic acid)
CID 155679078
(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
CID 67427194

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-methylphenyl)carbamic acid?
The IUPAC name of (4-chlorophenyl)-(2-methylphenyl)carbamic acid (CID 57361807) is (4-chlorophenyl)-(2-methylphenyl)carbamic acid.
What is the SMILES notation for (4-chlorophenyl)-(2-methylphenyl)carbamic acid?
The canonical SMILES for (4-chlorophenyl)-(2-methylphenyl)carbamic acid is Cc1ccccc1N(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(2-methylphenyl)carbamic acid?
The InChIKey is BYDRDROYLKCWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-10-4-2-3-5-13(10)16(14(17)18)12-8-6-11(15)7-9-12/h2-9H,1H3,(H,17,18).
What are the key properties of (4-chlorophenyl)-(2-methylphenyl)carbamic acid?
(4-chlorophenyl)-(2-methylphenyl)carbamic acid has a molecular weight of 261.71 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-methylphenyl)carbamic acid is sourced from PubChem (CID 57361807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).