phenyl N-(3-chloro-4-methoxyphenyl)carbamate

C14H12ClNO3 — CID 731707

IUPACphenyl N-(3-chloro-4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)Oc2ccccc2)cc1Cl
InChIInChI=1S/C14H12ClNO3/c1-18-13-8-7-10(9-12(13)15)16-14(17)19-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyVNXJMBYVYCASNW-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.96
Rot. Bonds3

About phenyl N-(3-chloro-4-methoxyphenyl)carbamate

phenyl N-(3-chloro-4-methoxyphenyl)carbamate (PubChem CID 731707) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is phenyl N-(3-chloro-4-methoxyphenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-chloro-4-methoxyphenyl)carbamate
PubChem CID731707
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Namephenyl N-(3-chloro-4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)Oc2ccccc2)cc1Cl
InChIInChI=1S/C14H12ClNO3/c1-18-13-8-7-10(9-12(13)15)16-14(17)19-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyVNXJMBYVYCASNW-UHFFFAOYSA-N
XLogP3.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl N-(3-chloro-4-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

Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-chloro-4-methoxyphenyl)carbamate?
The IUPAC name of phenyl N-(3-chloro-4-methoxyphenyl)carbamate (CID 731707) is phenyl N-(3-chloro-4-methoxyphenyl)carbamate.
What is the SMILES notation for phenyl N-(3-chloro-4-methoxyphenyl)carbamate?
The canonical SMILES for phenyl N-(3-chloro-4-methoxyphenyl)carbamate is COc1ccc(NC(=O)Oc2ccccc2)cc1Cl.
What is the InChIKey of phenyl N-(3-chloro-4-methoxyphenyl)carbamate?
The InChIKey is VNXJMBYVYCASNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-18-13-8-7-10(9-12(13)15)16-14(17)19-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17).
What are the key properties of phenyl N-(3-chloro-4-methoxyphenyl)carbamate?
phenyl N-(3-chloro-4-methoxyphenyl)carbamate has a molecular weight of 277.71 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-chloro-4-methoxyphenyl)carbamate is sourced from PubChem (CID 731707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).