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

C12H16ClNO3 — CID 86858023

IUPACN-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1ccc(OC)cc1Cl
InChIInChI=1S/C12H16ClNO3/c1-16-7-3-4-12(15)14-11-6-5-9(17-2)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyAEGZMZIVLRRURZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.71
Rot. Bonds6

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

N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide (PubChem CID 86858023) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
PubChem CID86858023
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC NameN-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
SMILESCOCCCC(=O)Nc1ccc(OC)cc1Cl
InChIInChI=1S/C12H16ClNO3/c1-16-7-3-4-12(15)14-11-6-5-9(17-2)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyAEGZMZIVLRRURZ-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 21367956
N-[4-(2-chloro-4-methoxyanilino)-4-oxobutyl]cyclopropanecarboxamide
CID 86860358
N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 86860404
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide
CID 86857982
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybutanamide
CID 81263304
N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
CID 19176294
N-(2-chloro-4-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110777937
N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86860337
N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
CID 63856685
methyl 4-(2-chloro-4-methoxyanilino)butanoate
CID 115233297

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide (CID 86858023) is N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide is COCCCC(=O)Nc1ccc(OC)cc1Cl.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide?
The InChIKey is AEGZMZIVLRRURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-16-7-3-4-12(15)14-11-6-5-9(17-2)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide?
N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide has a molecular weight of 257.72 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide is sourced from PubChem (CID 86858023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).