4-chloro-N-[(3-chlorophenyl)methyl]butanamide

C11H13Cl2NO — CID 17071148

IUPAC4-chloro-N-[(3-chlorophenyl)methyl]butanamide
SMILESO=C(CCCCl)NCc1cccc(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c12-6-2-5-11(15)14-8-9-3-1-4-10(13)7-9/h1,3-4,7H,2,5-6,8H2,(H,14,15)
InChIKeyRLXXGLLDJAGYCF-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.98
Rot. Bonds5

About 4-chloro-N-[(3-chlorophenyl)methyl]butanamide

4-chloro-N-[(3-chlorophenyl)methyl]butanamide (PubChem CID 17071148) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 4-chloro-N-[(3-chlorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[(3-chlorophenyl)methyl]butanamide
PubChem CID17071148
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name4-chloro-N-[(3-chlorophenyl)methyl]butanamide
SMILESO=C(CCCCl)NCc1cccc(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c12-6-2-5-11(15)14-8-9-3-1-4-10(13)7-9/h1,3-4,7H,2,5-6,8H2,(H,14,15)
InChIKeyRLXXGLLDJAGYCF-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[(3-chlorophenyl)methyl]butanamide 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-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]butanamide
CID 107216596
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
5-(carbamoylamino)-N-[(3-chlorophenyl)methyl]pentanamide
CID 9209918
4-(3-bromophenoxy)-N-[(3-chlorophenyl)methyl]butanamide
CID 7959313
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[[3-(1-aminoethyl)phenyl]methyl]-4-chlorobutanamide
CID 165440683
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
N-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 18205641
3-[benzyl(methyl)amino]-N-[(3-chlorophenyl)methyl]propanamide
CID 118607410
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
3-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]propanamide
CID 107272767
5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872587

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]butanamide?
The IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]butanamide (CID 17071148) is 4-chloro-N-[(3-chlorophenyl)methyl]butanamide.
What is the SMILES notation for 4-chloro-N-[(3-chlorophenyl)methyl]butanamide?
The canonical SMILES for 4-chloro-N-[(3-chlorophenyl)methyl]butanamide is O=C(CCCCl)NCc1cccc(Cl)c1.
What is the InChIKey of 4-chloro-N-[(3-chlorophenyl)methyl]butanamide?
The InChIKey is RLXXGLLDJAGYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-6-2-5-11(15)14-8-9-3-1-4-10(13)7-9/h1,3-4,7H,2,5-6,8H2,(H,14,15).
What are the key properties of 4-chloro-N-[(3-chlorophenyl)methyl]butanamide?
4-chloro-N-[(3-chlorophenyl)methyl]butanamide has a molecular weight of 246.14 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-chlorophenyl)methyl]butanamide is sourced from PubChem (CID 17071148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).