chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate

C9H9ClFNO3 — CID 164652536

IUPACchloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)OCCl)c1F
InChIInChI=1S/C9H9ClFNO3/c1-14-7-4-2-3-6(8(7)11)12-9(13)15-5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyLJJPJSJISXHLCZ-UHFFFAOYSA-N
MW233.63 g/mol
LogP2.58
Rot. Bonds3

About chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate

chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate (PubChem CID 164652536) has the molecular formula C9H9ClFNO3 and a molecular weight of 233.63 g/mol. Its IUPAC name is chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate.

Molecular Properties

Compound Namechloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate
PubChem CID164652536
Molecular FormulaC9H9ClFNO3
Molecular Weight233.63 g/mol
Exact Mass233.03
IUPAC Namechloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)OCCl)c1F
InChIInChI=1S/C9H9ClFNO3/c1-14-7-4-2-3-6(8(7)11)12-9(13)15-5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyLJJPJSJISXHLCZ-UHFFFAOYSA-N
XLogP2.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze chloromethyl N-(2-fluoro-3-methoxyphenyl)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

(2-fluoro-3-methoxyphenyl)carbamic acid
CID 66876605
tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen
CID 158506120
N-(2-fluoro-3-methoxyphenyl)-4-methylbenzamide
CID 142437352
chloromethyl N-(2-fluoro-5-methoxyphenyl)carbamate
CID 164660390
2-(2-chloroethoxy)ethyl N-(2-methoxyphenyl)carbamate
CID 113360064
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865
2-chloro-N-(2-fluoro-6-methoxyphenyl)acetamide
CID 166415098
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
methyl N-[3-[(2-chloroacetyl)amino]-2-methylphenyl]carbamate
CID 166415130
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate
CID 171225303

Frequently Asked Questions

What is the IUPAC name of chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate?
The IUPAC name of chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate (CID 164652536) is chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate.
What is the SMILES notation for chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate?
The canonical SMILES for chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate is COc1cccc(NC(=O)OCCl)c1F.
What is the InChIKey of chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate?
The InChIKey is LJJPJSJISXHLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO3/c1-14-7-4-2-3-6(8(7)11)12-9(13)15-5-10/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate?
chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate has a molecular weight of 233.63 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl N-(2-fluoro-3-methoxyphenyl)carbamate is sourced from PubChem (CID 164652536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).