3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide

C13H18ClNO2 — CID 115162712

IUPAC3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1cccc(CCN(C)C(=O)CCCl)c1
InChIInChI=1S/C13H18ClNO2/c1-15(13(16)6-8-14)9-7-11-4-3-5-12(10-11)17-2/h3-5,10H,6-9H2,1-2H3
InChIKeyXZAQEJFNWAZPAF-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.33
Rot. Bonds6

About 3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide

3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide (PubChem CID 115162712) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
PubChem CID115162712
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1cccc(CCN(C)C(=O)CCCl)c1
InChIInChI=1S/C13H18ClNO2/c1-15(13(16)6-8-14)9-7-11-4-3-5-12(10-11)17-2/h3-5,10H,6-9H2,1-2H3
InChIKeyXZAQEJFNWAZPAF-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide 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-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775
N-[2-(3-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 115152133
2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetic acid
CID 82129650
ethyl 2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetate
CID 115142102
4-[2-(3-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 115218804
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
2-cyano-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115188456
N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide
CID 63395047
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylpropanamide
CID 31973261
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide (CID 115162712) is 3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide is COc1cccc(CCN(C)C(=O)CCCl)c1.
What is the InChIKey of 3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide?
The InChIKey is XZAQEJFNWAZPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-15(13(16)6-8-14)9-7-11-4-3-5-12(10-11)17-2/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide?
3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide has a molecular weight of 255.75 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 115162712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).