N-(2-chloroethyl)-N-(4-methylphenyl)carbamate

C10H11ClNO2- — CID 57353360

IUPACN-(2-chloroethyl)-N-(4-methylphenyl)carbamate
SMILESCc1ccc(N(CCCl)C(=O)[O-])cc1
InChIInChI=1S/C10H12ClNO2/c1-8-2-4-9(5-3-8)12(7-6-11)10(13)14/h2-5H,6-7H2,1H3,(H,13,14)/p-1
InChIKeyUVOJCXFDGLKDEA-UHFFFAOYSA-M
MW212.66 g/mol
LogP1.38
Rot. Bonds3

About N-(2-chloroethyl)-N-(4-methylphenyl)carbamate

N-(2-chloroethyl)-N-(4-methylphenyl)carbamate (PubChem CID 57353360) has the molecular formula C10H11ClNO2- and a molecular weight of 212.66 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(4-methylphenyl)carbamate.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(4-methylphenyl)carbamate
PubChem CID57353360
Molecular FormulaC10H11ClNO2-
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC NameN-(2-chloroethyl)-N-(4-methylphenyl)carbamate
SMILESCc1ccc(N(CCCl)C(=O)[O-])cc1
InChIInChI=1S/C10H12ClNO2/c1-8-2-4-9(5-3-8)12(7-6-11)10(13)14/h2-5H,6-7H2,1H3,(H,13,14)/p-1
InChIKeyUVOJCXFDGLKDEA-UHFFFAOYSA-M
XLogP1.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-(4-methylphenyl)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-(4-bromophenyl)-N-(2-chloroethyl)carbamate
CID 57376239
N-(4-carbonochloridoylphenyl)-N-(2-chloroethyl)carbamate
CID 57349497
N-(4-methylphenyl)-N-octylcarbamate
CID 57360038
tert-butyl (2R,3R)-4-[N-(2-chloroethyl)-4-methylanilino]-2,3-dihydroxy-4-oxobutanoate
CID 67222971
N-[2-[bis(2-chloroethyl)amino]-2-oxoethyl]-N-phenylcarbamate
CID 57362028
2-chloro-N-[(2-hydroxyphenyl)methyl]-N-(4-methylphenyl)acetamide
CID 86145134
N,N-bis(3-chloropropyl)-4-methylbenzenesulfonamide
CID 11012755
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
N-(2-chloroethyl)-N'-(4-cyanophenyl)-2,3-dihydroxy-N-(4-methylphenyl)butanediamide
CID 76717361
(4-methylphenyl) N,N-bis(2-chloroethyl)carbamate
CID 67349744
4-chloro-N-methyl-N-(4-methylphenyl)butanamide
CID 63308688

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(4-methylphenyl)carbamate?
The IUPAC name of N-(2-chloroethyl)-N-(4-methylphenyl)carbamate (CID 57353360) is N-(2-chloroethyl)-N-(4-methylphenyl)carbamate.
What is the SMILES notation for N-(2-chloroethyl)-N-(4-methylphenyl)carbamate?
The canonical SMILES for N-(2-chloroethyl)-N-(4-methylphenyl)carbamate is Cc1ccc(N(CCCl)C(=O)[O-])cc1.
What is the InChIKey of N-(2-chloroethyl)-N-(4-methylphenyl)carbamate?
The InChIKey is UVOJCXFDGLKDEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12ClNO2/c1-8-2-4-9(5-3-8)12(7-6-11)10(13)14/h2-5H,6-7H2,1H3,(H,13,14)/p-1.
What are the key properties of N-(2-chloroethyl)-N-(4-methylphenyl)carbamate?
N-(2-chloroethyl)-N-(4-methylphenyl)carbamate has a molecular weight of 212.66 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(4-methylphenyl)carbamate is sourced from PubChem (CID 57353360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).