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

C11H11Cl2NO2 — CID 86085592

IUPAC4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide
SMILESCc1cc(Cl)ccc1NC(=O)CC(=O)CCl
InChIInChI=1S/C11H11Cl2NO2/c1-7-4-8(13)2-3-10(7)14-11(16)5-9(15)6-12/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyDGZZTPOQYIMMBI-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.78
Rot. Bonds4

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

4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide (PubChem CID 86085592) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide
PubChem CID86085592
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide
SMILESCc1cc(Cl)ccc1NC(=O)CC(=O)CCl
InChIInChI=1S/C11H11Cl2NO2/c1-7-4-8(13)2-3-10(7)14-11(16)5-9(15)6-12/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyDGZZTPOQYIMMBI-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.78
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

N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108940886
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
N-(4-chloro-2-methylphenyl)-2-(dimethylamino)acetamide
CID 25250427
2-(4-chloroanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 26506560
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955213
N'-(4-chloro-2-methylphenyl)-N-(4-ethylphenyl)propanediamide
CID 108954023
N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide
CID 109005960
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide
CID 108941850

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide?
The IUPAC name of 4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide (CID 86085592) is 4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide?
The canonical SMILES for 4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide is Cc1cc(Cl)ccc1NC(=O)CC(=O)CCl.
What is the InChIKey of 4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide?
The InChIKey is DGZZTPOQYIMMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-7-4-8(13)2-3-10(7)14-11(16)5-9(15)6-12/h2-4H,5-6H2,1H3,(H,14,16).
What are the key properties of 4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide?
4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide has a molecular weight of 260.12 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-2-methylphenyl)-3-oxobutanamide is sourced from PubChem (CID 86085592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).