2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide

C12H15Cl2NO — CID 140676450

IUPAC2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(Cc1ccc(Cl)cc1)C(Cl)C(N)=O
InChIInChI=1S/C12H15Cl2NO/c1-12(2,10(14)11(15)16)7-8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3,(H2,15,16)
InChIKeyIYFNXVVCMHZKFY-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.00
Rot. Bonds4

About 2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide

2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide (PubChem CID 140676450) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide
PubChem CID140676450
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(Cc1ccc(Cl)cc1)C(Cl)C(N)=O
InChIInChI=1S/C12H15Cl2NO/c1-12(2,10(14)11(15)16)7-8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3,(H2,15,16)
InChIKeyIYFNXVVCMHZKFY-UHFFFAOYSA-N
XLogP3.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.00
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

(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
CID 130693679
(2S)-2-amino-2-[(4-chlorophenyl)methyl]butanoic acid
CID 70178443
(2R)-2-amino-N-[1-(4-chlorophenyl)-2-methylpropan-2-yl]propanamide
CID 163242373
methyl 4-(4-chlorophenyl)-3-hydroxy-3-methyl-2-propan-2-ylbutanoate
CID 114081535
(2R)-3-(4-chlorophenyl)-2-iodopropanamide
CID 138478190
2,2,3-tris(4-chlorophenyl)propanoyl chloride
CID 54259646
tert-butyl (2S)-2-amino-3-(4-chlorophenyl)-2-methylpropanoate
CID 15433370
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
2-bromo-6-(4-chlorophenyl)-5,5-dimethylhexan-3-one
CID 12870627
2-chloro-4-(4-chlorophenyl)-2-methylbutanamide
CID 67225206
3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid
CID 24978280
2-chloro-2-[(4-chlorophenyl)methyl]propanedioic acid
CID 122378563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide (CID 140676450) is 2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide is CC(C)(Cc1ccc(Cl)cc1)C(Cl)C(N)=O.
What is the InChIKey of 2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide?
The InChIKey is IYFNXVVCMHZKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(2,10(14)11(15)16)7-8-3-5-9(13)6-4-8/h3-6,10H,7H2,1-2H3,(H2,15,16).
What are the key properties of 2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide?
2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide has a molecular weight of 260.16 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chlorophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 140676450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).