2-(4-chlorophenyl)ethylcarbamic acid

C9H10ClNO2 — CID 57014413

IUPAC2-(4-chlorophenyl)ethylcarbamic acid
SMILESO=C(O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)5-6-11-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeySBFOWCWEBUMNJR-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.15
Rot. Bonds3

About 2-(4-chlorophenyl)ethylcarbamic acid

2-(4-chlorophenyl)ethylcarbamic acid (PubChem CID 57014413) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)ethylcarbamic acid
PubChem CID57014413
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-(4-chlorophenyl)ethylcarbamic acid
SMILESO=C(O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)5-6-11-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeySBFOWCWEBUMNJR-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)ethylcarbamic 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-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
2-(4-cyanophenyl)ethylcarbamic acid
CID 67243316
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopropanamide
CID 146701430
4-[2-(4-chlorophenyl)ethylamino]-2-methyl-4-oxobutanoic acid
CID 115165161
N-[2-(4-chlorophenyl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853491

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)ethylcarbamic acid?
The IUPAC name of 2-(4-chlorophenyl)ethylcarbamic acid (CID 57014413) is 2-(4-chlorophenyl)ethylcarbamic acid.
What is the SMILES notation for 2-(4-chlorophenyl)ethylcarbamic acid?
The canonical SMILES for 2-(4-chlorophenyl)ethylcarbamic acid is O=C(O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)ethylcarbamic acid?
The InChIKey is SBFOWCWEBUMNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)5-6-11-9(12)13/h1-4,11H,5-6H2,(H,12,13).
What are the key properties of 2-(4-chlorophenyl)ethylcarbamic acid?
2-(4-chlorophenyl)ethylcarbamic acid has a molecular weight of 199.64 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)ethylcarbamic acid is sourced from PubChem (CID 57014413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).