(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid

C9H9Cl2NO3 — CID 115170906

IUPAC(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
SMILESCOc1ccc(CNC(=O)O)c(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO3/c1-15-6-3-2-5(4-12-9(13)14)7(10)8(6)11/h2-3,12H,4H2,1H3,(H,13,14)
InChIKeyMRURIFKNGSTPNE-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.77
Rot. Bonds3

About (2,3-dichloro-4-methoxyphenyl)methylcarbamic acid

(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid (PubChem CID 115170906) has the molecular formula C9H9Cl2NO3 and a molecular weight of 250.08 g/mol. Its IUPAC name is (2,3-dichloro-4-methoxyphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
PubChem CID115170906
Molecular FormulaC9H9Cl2NO3
Molecular Weight250.08 g/mol
Exact Mass249.00
IUPAC Name(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
SMILESCOc1ccc(CNC(=O)O)c(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO3/c1-15-6-3-2-5(4-12-9(13)14)7(10)8(6)11/h2-3,12H,4H2,1H3,(H,13,14)
InChIKeyMRURIFKNGSTPNE-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2,3-dichloro-4-methoxyphenyl)methylcarbamic acid 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-dichloro-4-methoxyphenyl)methyl]carbamoyl chloride
CID 115194701
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide
CID 115166291
N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine
CID 82551134
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115191205
3-[(4-methoxy-2,3-dimethylphenyl)methylamino]-3-oxopropanoic acid
CID 115163405
methyl 2,6-dichloro-3-methoxybenzoate
CID 72942143
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 82128305
6-(bromomethyl)-2-chloro-3-methoxybenzoic acid
CID 171020706
2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide
CID 63627273
ethyl 2-(3-chloro-4-methoxy-2-methylphenyl)acetate
CID 171005875

Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-4-methoxyphenyl)methylcarbamic acid?
The IUPAC name of (2,3-dichloro-4-methoxyphenyl)methylcarbamic acid (CID 115170906) is (2,3-dichloro-4-methoxyphenyl)methylcarbamic acid.
What is the SMILES notation for (2,3-dichloro-4-methoxyphenyl)methylcarbamic acid?
The canonical SMILES for (2,3-dichloro-4-methoxyphenyl)methylcarbamic acid is COc1ccc(CNC(=O)O)c(Cl)c1Cl.
What is the InChIKey of (2,3-dichloro-4-methoxyphenyl)methylcarbamic acid?
The InChIKey is MRURIFKNGSTPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO3/c1-15-6-3-2-5(4-12-9(13)14)7(10)8(6)11/h2-3,12H,4H2,1H3,(H,13,14).
What are the key properties of (2,3-dichloro-4-methoxyphenyl)methylcarbamic acid?
(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid has a molecular weight of 250.08 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-4-methoxyphenyl)methylcarbamic acid is sourced from PubChem (CID 115170906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).