2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide

C17H17Cl2NO — CID 177306140

IUPAC2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide
SMILESCC(C)C(Cl)(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO/c1-12(2)17(19,13-8-10-14(18)11-9-13)16(21)20-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,21)
InChIKeyDFUMANPMFRMSOC-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.07
Rot. Bonds4

About 2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide

2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide (PubChem CID 177306140) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide
PubChem CID177306140
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide
SMILESCC(C)C(Cl)(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO/c1-12(2)17(19,13-8-10-14(18)11-9-13)16(21)20-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,21)
InChIKeyDFUMANPMFRMSOC-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.07
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

2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide
CID 132525792
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
2-chloro-3-methyl-2-phenylbutanoic acid;hydrochloride
CID 140979566
3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
2-(4-chlorophenyl)sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24569378
1-phenyl-3-[(1S)-2,2,2-trichloro-1-(4-chloroanilino)ethyl]urea
CID 1106952
2,2,2-tribromo-N-(4-chlorophenyl)acetamide
CID 10916515
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
(2S)-2-hydroxy-2-methyl-N-phenyl-3-(4-propan-2-ylphenyl)sulfanylpropanamide
CID 164683364
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide?
The IUPAC name of 2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide (CID 177306140) is 2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide.
What is the SMILES notation for 2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide?
The canonical SMILES for 2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide is CC(C)C(Cl)(C(=O)Nc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide?
The InChIKey is DFUMANPMFRMSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-12(2)17(19,13-8-10-14(18)11-9-13)16(21)20-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,20,21).
What are the key properties of 2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide?
2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide has a molecular weight of 322.24 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-chlorophenyl)-3-methyl-N-phenylbutanamide is sourced from PubChem (CID 177306140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).