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

C8H7ClFNO2 — CID 115579852

IUPACmethyl N-(2-chloro-4-fluorophenyl)carbamate
SMILESCOC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C8H7ClFNO2/c1-13-8(12)11-7-3-2-5(10)4-6(7)9/h2-4H,1H3,(H,11,12)
InChIKeyRWFSPKWHHPWULZ-UHFFFAOYSA-N
MW203.60 g/mol
LogP2.66
Rot. Bonds1

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

methyl N-(2-chloro-4-fluorophenyl)carbamate (PubChem CID 115579852) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is methyl N-(2-chloro-4-fluorophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-chloro-4-fluorophenyl)carbamate
PubChem CID115579852
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Namemethyl N-(2-chloro-4-fluorophenyl)carbamate
SMILESCOC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C8H7ClFNO2/c1-13-8(12)11-7-3-2-5(10)4-6(7)9/h2-4H,1H3,(H,11,12)
InChIKeyRWFSPKWHHPWULZ-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl N-(2-chloro-4-fluorophenyl)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-(2-chloro-4-propan-2-ylphenyl)carbamate
CID 10331339
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate
CID 175755626
(2-chloro-4-fluorophenyl)thiourea
CID 28888219
methyl N-(5-chloro-2-fluorophenyl)carbamate
CID 110778567
methyl N-(4-chloro-2-fluoro-3-hydroxyphenyl)carbamate
CID 19374487
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide
CID 55081012
4-O-[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506531
2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084747
(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 7713955
methyl N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]carbamate
CID 60814781

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-chloro-4-fluorophenyl)carbamate?
The IUPAC name of methyl N-(2-chloro-4-fluorophenyl)carbamate (CID 115579852) is methyl N-(2-chloro-4-fluorophenyl)carbamate.
What is the SMILES notation for methyl N-(2-chloro-4-fluorophenyl)carbamate?
The canonical SMILES for methyl N-(2-chloro-4-fluorophenyl)carbamate is COC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of methyl N-(2-chloro-4-fluorophenyl)carbamate?
The InChIKey is RWFSPKWHHPWULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c1-13-8(12)11-7-3-2-5(10)4-6(7)9/h2-4H,1H3,(H,11,12).
What are the key properties of methyl N-(2-chloro-4-fluorophenyl)carbamate?
methyl N-(2-chloro-4-fluorophenyl)carbamate has a molecular weight of 203.60 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-chloro-4-fluorophenyl)carbamate is sourced from PubChem (CID 115579852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).