(2-chlorophenyl) N-methylcarbamate

C8H8ClNO2 — CID 19841

IUPAC(2-chlorophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1Cl
InChIInChI=1S/C8H8ClNO2/c1-10-8(11)12-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)
InChIKeyZAGNMMRDHSEOPE-UHFFFAOYSA-N
MW185.61 g/mol
LogP2.06
Rot. Bonds1

About (2-chlorophenyl) N-methylcarbamate

(2-chlorophenyl) N-methylcarbamate (PubChem CID 19841) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is (2-chlorophenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-chlorophenyl) N-methylcarbamate
PubChem CID19841
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name(2-chlorophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1Cl
InChIInChI=1S/C8H8ClNO2/c1-10-8(11)12-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)
InChIKeyZAGNMMRDHSEOPE-UHFFFAOYSA-N
XLogP2.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-chlorophenyl) N-methylcarbamate 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

Phenyl Methylcarbamate
CID 16034
Mephenate
CID 17491
2-Chloro-3-isopropylphenyl-N-methylcarbamate
CID 19107
N-Methyl-3-chlorophenylcarbamate
CID 21680058
3-Chlorophenyl dimethylcarbamate
CID 225325
Carbamic acid, dimethyl-, 2,4-dichlorophenyl ester
CID 226043
4-Chlorophenyl dimethylcarbamate
CID 350036
2-Chlorophenyl dimethylcarbamate
CID 13513148
2-Chloro-5-(1-methylethyl)phenol methylcarbamate
CID 17681
Carbamic acid, methyl-, 5-sec-butyl-2-chlorophenyl ester
CID 18014
Carbamic acid, N,N'-vinylenedi-, bis(2,4-dichlorophenyl) ester
CID 3033545
Phenol, 2,4-dichloro-, 1-(N-methylcarbamate)
CID 5060893

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) N-methylcarbamate?
The IUPAC name of (2-chlorophenyl) N-methylcarbamate (CID 19841) is (2-chlorophenyl) N-methylcarbamate.
What is the SMILES notation for (2-chlorophenyl) N-methylcarbamate?
The canonical SMILES for (2-chlorophenyl) N-methylcarbamate is CNC(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) N-methylcarbamate?
The InChIKey is ZAGNMMRDHSEOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-10-8(11)12-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11).
What are the key properties of (2-chlorophenyl) N-methylcarbamate?
(2-chlorophenyl) N-methylcarbamate has a molecular weight of 185.61 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) N-methylcarbamate is sourced from PubChem (CID 19841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).