4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide

C13H17Cl2NO — CID 63308077

IUPAC4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CCCCl
InChIInChI=1S/C13H17Cl2NO/c1-2-16(13(17)8-5-9-14)10-11-6-3-4-7-12(11)15/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyTZQNQIBHSBFPCN-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.71
Rot. Bonds6

About 4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide

4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide (PubChem CID 63308077) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide.

Molecular Properties

Compound Name4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
PubChem CID63308077
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CCCCl
InChIInChI=1S/C13H17Cl2NO/c1-2-16(13(17)8-5-9-14)10-11-6-3-4-7-12(11)15/h3-4,6-7H,2,5,8-10H2,1H3
InChIKeyTZQNQIBHSBFPCN-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide 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

3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 52572631
N-benzyl-5-chloro-N-ethylpentanamide
CID 28727812
N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide
CID 78852823
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
N-[(2-chlorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119723037
4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
CID 55205589
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265237
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
N-[(2-chlorophenyl)methyl]-N-ethyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55636728
3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 52572597
N-[(2-chlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 60546030

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide?
The IUPAC name of 4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide (CID 63308077) is 4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide.
What is the SMILES notation for 4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide?
The canonical SMILES for 4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide is CCN(Cc1ccccc1Cl)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide?
The InChIKey is TZQNQIBHSBFPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-2-16(13(17)8-5-9-14)10-11-6-3-4-7-12(11)15/h3-4,6-7H,2,5,8-10H2,1H3.
What are the key properties of 4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide?
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide has a molecular weight of 274.19 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide is sourced from PubChem (CID 63308077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).