(2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate

C16H16ClNO4 — CID 134112809

IUPAC(2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate
SMILESCOc1ccc(OC)c(COC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO4/c1-20-14-6-7-15(21-2)11(8-14)10-22-16(19)18-13-5-3-4-12(17)9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyAGVRCLNCCIYKLN-UHFFFAOYSA-N
MW321.76 g/mol
LogP4.11
Rot. Bonds5

About (2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate

(2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate (PubChem CID 134112809) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate
PubChem CID134112809
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name(2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate
SMILESCOc1ccc(OC)c(COC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO4/c1-20-14-6-7-15(21-2)11(8-14)10-22-16(19)18-13-5-3-4-12(17)9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyAGVRCLNCCIYKLN-UHFFFAOYSA-N
XLogP4.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)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

N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide
CID 38621423
methyl N-(3-chlorophenyl)carbamate
CID 16529
N-(3-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 5274047
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 110779915
1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea
CID 61013605
(5-chloro-2-methoxyphenyl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8556790
(2,5-dimethoxyphenyl)methyl 3-methoxybenzoate
CID 18155855
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7486872

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate?
The IUPAC name of (2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate (CID 134112809) is (2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for (2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate?
The canonical SMILES for (2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate is COc1ccc(OC)c(COC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate?
The InChIKey is AGVRCLNCCIYKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-20-14-6-7-15(21-2)11(8-14)10-22-16(19)18-13-5-3-4-12(17)9-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of (2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate?
(2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate has a molecular weight of 321.76 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)methyl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 134112809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).