2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide

C12H15Cl2NO — CID 15045876

IUPAC2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide
SMILESCC(Cl)C(=O)N(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C12H15Cl2NO/c1-8(2)15(12(16)9(3)13)11-6-4-10(14)5-7-11/h4-9H,1-3H3
InChIKeyPHADIFJXXTUYLL-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.71
Rot. Bonds3

About 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide

2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide (PubChem CID 15045876) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide
PubChem CID15045876
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide
SMILESCC(Cl)C(=O)N(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C12H15Cl2NO/c1-8(2)15(12(16)9(3)13)11-6-4-10(14)5-7-11/h4-9H,1-3H3
InChIKeyPHADIFJXXTUYLL-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-chlorophenyl)-N-propan-2-ylacetamide;toluene
CID 175422167
N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
CID 138899896
S-[ethoxy(methyl)phosphinothioyl] N-(4-chlorophenyl)-N-propan-2-ylcarbamothioate
CID 21321246
N-(2,4-dichlorophenyl)-N-propan-2-ylcarbamoyl chloride
CID 56949574
(4-phenylphenyl)-propan-2-ylcarbamic acid
CID 118254837
2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 11063778
4-(chloromethyl)-N-(4-chlorophenyl)-3-oxo-N-propan-2-yl-1,2-oxazole-2-carboxamide
CID 139606740
N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide
CID 28769527
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268
N-(4-chlorophenyl)-2-[(3-chloro-1,2,4-thiadiazol-5-yl)oxy]-N-propan-2-ylacetamide
CID 14555397
N-(4-chlorophenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187219
2-(N-acetyl-4-chloroanilino)butanoic acid
CID 22492313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide (CID 15045876) is 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide is CC(Cl)C(=O)N(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide?
The InChIKey is PHADIFJXXTUYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-8(2)15(12(16)9(3)13)11-6-4-10(14)5-7-11/h4-9H,1-3H3.
What are the key properties of 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide?
2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide has a molecular weight of 260.16 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 15045876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).