3-chloro-N-(4-chlorophenyl)butanamide

C10H11Cl2NO — CID 10681053

IUPAC3-chloro-N-(4-chlorophenyl)butanamide
SMILESCC(Cl)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NO/c1-7(11)6-10(14)13-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyOFZVUWRTZRXPKK-UHFFFAOYSA-N
MW232.11 g/mol
LogP3.30
Rot. Bonds3

About 3-chloro-N-(4-chlorophenyl)butanamide

3-chloro-N-(4-chlorophenyl)butanamide (PubChem CID 10681053) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorophenyl)butanamide.

Molecular Properties

Compound Name3-chloro-N-(4-chlorophenyl)butanamide
PubChem CID10681053
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name3-chloro-N-(4-chlorophenyl)butanamide
SMILESCC(Cl)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H11Cl2NO/c1-7(11)6-10(14)13-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeyOFZVUWRTZRXPKK-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-chloro-N-phenylbutanamide
CID 94188827
N-(4-chlorophenyl)-3-(dimethylamino)butanamide
CID 123590846
N-(4-chlorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905399
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
(2R)-4-(4-chloroanilino)-4-oxo-2-[(1R)-1-phenylethyl]butanoic acid
CID 93036339
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197
[(2S)-4-(4-chloroanilino)-4-oxobutan-2-yl]-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 9453401
(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide
CID 92707965
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282
N-[4-[[[(1S)-1-(4-chlorophenyl)ethyl]-methylcarbamoyl]amino]phenyl]-3-methylbutanamide
CID 51945831

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chlorophenyl)butanamide?
The IUPAC name of 3-chloro-N-(4-chlorophenyl)butanamide (CID 10681053) is 3-chloro-N-(4-chlorophenyl)butanamide.
What is the SMILES notation for 3-chloro-N-(4-chlorophenyl)butanamide?
The canonical SMILES for 3-chloro-N-(4-chlorophenyl)butanamide is CC(Cl)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-(4-chlorophenyl)butanamide?
The InChIKey is OFZVUWRTZRXPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c1-7(11)6-10(14)13-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of 3-chloro-N-(4-chlorophenyl)butanamide?
3-chloro-N-(4-chlorophenyl)butanamide has a molecular weight of 232.11 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chlorophenyl)butanamide is sourced from PubChem (CID 10681053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).