2-chloro-N-(4-methoxyphenyl)-N-methylacetamide

C10H12ClNO2 — CID 4714233

IUPAC2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CCl)cc1
InChIInChI=1S/C10H12ClNO2/c1-12(10(13)7-11)8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyQJCJMBSFRSSXCB-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.90
Rot. Bonds3

About 2-chloro-N-(4-methoxyphenyl)-N-methylacetamide

2-chloro-N-(4-methoxyphenyl)-N-methylacetamide (PubChem CID 4714233) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
PubChem CID4714233
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CCl)cc1
InChIInChI=1S/C10H12ClNO2/c1-12(10(13)7-11)8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyQJCJMBSFRSSXCB-UHFFFAOYSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(4-methoxyphenyl)-N-methylacetamide 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

2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide
CID 166414676
2-chloro-N-(4-chlorophenyl)-N-methylacetamide
CID 12603569
2-chloro-N-ethyl-N-(4-methoxyphenyl)acetamide
CID 53416981
4-hydroxy-N-(4-methoxyphenyl)-N-methylbutanamide
CID 79191908
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
N-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605370
tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576936
N-(4-methoxyphenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027641
N-[4-(aminomethyl)phenyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 28755644
N-(4-methoxyphenyl)-N-methyl-2-pyridin-4-ylacetamide
CID 110468130
N-(4-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 172554773
2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115161877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)-N-methylacetamide (CID 4714233) is 2-chloro-N-(4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)-N-methylacetamide is COc1ccc(N(C)C(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)-N-methylacetamide?
The InChIKey is QJCJMBSFRSSXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-12(10(13)7-11)8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 2-chloro-N-(4-methoxyphenyl)-N-methylacetamide?
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide has a molecular weight of 213.66 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 4714233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).