2-chloro-N-(4-chlorophenyl)-3-oxobutanamide

C10H9Cl2NO2 — CID 2778503

IUPAC2-chloro-N-(4-chlorophenyl)-3-oxobutanamide
SMILESCC(=O)C(Cl)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H9Cl2NO2/c1-6(14)9(12)10(15)13-8-4-2-7(11)3-5-8/h2-5,9H,1H3,(H,13,15)
InChIKeyNJPWQDYWOXAZIE-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.47
Rot. Bonds3

About 2-chloro-N-(4-chlorophenyl)-3-oxobutanamide

2-chloro-N-(4-chlorophenyl)-3-oxobutanamide (PubChem CID 2778503) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-3-oxobutanamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-3-oxobutanamide
PubChem CID2778503
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name2-chloro-N-(4-chlorophenyl)-3-oxobutanamide
SMILESCC(=O)C(Cl)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H9Cl2NO2/c1-6(14)9(12)10(15)13-8-4-2-7(11)3-5-8/h2-5,9H,1H3,(H,13,15)
InChIKeyNJPWQDYWOXAZIE-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-chloro-3-oxo-N-phenylbutanamide
CID 737830
N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282
2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide
CID 142639963
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
N-(4-chlorophenyl)-2-oxopropanamide
CID 4252596
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
(2R,3R)-2,3-diacetyloxy-4-(4-chloroanilino)-4-oxobutanoic acid
CID 7188884
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
2,3-diacetyloxy-4-(4-chloroanilino)-4-oxobutanoic acid
CID 2806166

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-3-oxobutanamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-3-oxobutanamide (CID 2778503) is 2-chloro-N-(4-chlorophenyl)-3-oxobutanamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-3-oxobutanamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-3-oxobutanamide is CC(=O)C(Cl)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-3-oxobutanamide?
The InChIKey is NJPWQDYWOXAZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c1-6(14)9(12)10(15)13-8-4-2-7(11)3-5-8/h2-5,9H,1H3,(H,13,15).
What are the key properties of 2-chloro-N-(4-chlorophenyl)-3-oxobutanamide?
2-chloro-N-(4-chlorophenyl)-3-oxobutanamide has a molecular weight of 246.09 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-3-oxobutanamide is sourced from PubChem (CID 2778503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).