methyl N-(4-chloro-2-methylphenyl)carbamate

C9H10ClNO2 — CID 3262623

IUPACmethyl N-(4-chloro-2-methylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C9H10ClNO2/c1-6-5-7(10)3-4-8(6)11-9(12)13-2/h3-5H,1-2H3,(H,11,12)
InChIKeyJORDNTGRKGYQFZ-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.83
Rot. Bonds1

About methyl N-(4-chloro-2-methylphenyl)carbamate

methyl N-(4-chloro-2-methylphenyl)carbamate (PubChem CID 3262623) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is methyl N-(4-chloro-2-methylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-chloro-2-methylphenyl)carbamate
PubChem CID3262623
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Namemethyl N-(4-chloro-2-methylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C9H10ClNO2/c1-6-5-7(10)3-4-8(6)11-9(12)13-2/h3-5H,1-2H3,(H,11,12)
InChIKeyJORDNTGRKGYQFZ-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl N-(4-chloro-2-methylphenyl)carbamate 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

methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
methyl N-(5-chloro-2-fluorophenyl)carbamate
CID 110778567
(4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate
CID 3265597
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
1-(4-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894172
(5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate
CID 70593902
ethyl N-[(4-chloro-2-methylphenyl)carbamoylamino]carbamate
CID 4307615
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-chloro-2-methylphenyl)carbamate?
The IUPAC name of methyl N-(4-chloro-2-methylphenyl)carbamate (CID 3262623) is methyl N-(4-chloro-2-methylphenyl)carbamate.
What is the SMILES notation for methyl N-(4-chloro-2-methylphenyl)carbamate?
The canonical SMILES for methyl N-(4-chloro-2-methylphenyl)carbamate is COC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of methyl N-(4-chloro-2-methylphenyl)carbamate?
The InChIKey is JORDNTGRKGYQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6-5-7(10)3-4-8(6)11-9(12)13-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of methyl N-(4-chloro-2-methylphenyl)carbamate?
methyl N-(4-chloro-2-methylphenyl)carbamate has a molecular weight of 199.64 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-chloro-2-methylphenyl)carbamate is sourced from PubChem (CID 3262623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).