N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate

C11H13ClNO2- — CID 57373992

IUPACN-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate
SMILESCc1c(Cl)cccc1N(C(=O)[O-])C(C)C
InChIInChI=1S/C11H14ClNO2/c1-7(2)13(11(14)15)10-6-4-5-9(12)8(10)3/h4-7H,1-3H3,(H,14,15)/p-1
InChIKeyWKKQVUPQKPXUSA-UHFFFAOYSA-M
MW226.68 g/mol
LogP2.21
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate

N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate (PubChem CID 57373992) has the molecular formula C11H13ClNO2- and a molecular weight of 226.68 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate
PubChem CID57373992
Molecular FormulaC11H13ClNO2-
Molecular Weight226.68 g/mol
Exact Mass226.06
IUPAC NameN-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate
SMILESCc1c(Cl)cccc1N(C(=O)[O-])C(C)C
InChIInChI=1S/C11H14ClNO2/c1-7(2)13(11(14)15)10-6-4-5-9(12)8(10)3/h4-7H,1-3H3,(H,14,15)/p-1
InChIKeyWKKQVUPQKPXUSA-UHFFFAOYSA-M
XLogP2.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate 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-dimethylphenyl)-N-propan-2-ylcarbamate
CID 57351838
N-(3-chloro-2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 67656969
N-(2,6-dimethylphenyl)-N-propan-2-ylcarbamate
CID 57352336
2-[N-(carboxymethyl)-3-chloro-2-methylanilino]acetic acid
CID 58135098
3-[N-(1-carboxyethyl)-3-chloro-2-methylanilino]-2-methylpropanoic acid
CID 82317224
3-(3-chloro-N-ethylsulfonyl-2-methylanilino)propanoic acid
CID 50895515
2-[N-(2-carboxyethyl)-3-chloro-2-methylanilino]propanoic acid
CID 82317155
4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide
CID 4277205
(2R)-2-(3-chloro-N-ethyl-2-methylanilino)butanoic acid
CID 100519415
N-[(2S)-butan-2-yl]-2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 7438945
2-(3-chloro-N-ethylsulfonyl-2-methylanilino)acetamide
CID 50895476
3-(3-chloro-2-methyl-N-pentylanilino)-2-methylpropanoic acid
CID 82318190

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate (CID 57373992) is N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate is Cc1c(Cl)cccc1N(C(=O)[O-])C(C)C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate?
The InChIKey is WKKQVUPQKPXUSA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14ClNO2/c1-7(2)13(11(14)15)10-6-4-5-9(12)8(10)3/h4-7H,1-3H3,(H,14,15)/p-1.
What are the key properties of N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate?
N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate has a molecular weight of 226.68 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 57373992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).