2-chloro-4-(4-chlorophenyl)-2-methylbutanamide

C11H13Cl2NO — CID 67225206

IUPAC2-chloro-4-(4-chlorophenyl)-2-methylbutanamide
SMILESCC(Cl)(CCc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C11H13Cl2NO/c1-11(13,10(14)15)7-6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H2,14,15)
InChIKeyDHOLEBYWQDCLDF-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.76
Rot. Bonds4

About 2-chloro-4-(4-chlorophenyl)-2-methylbutanamide

2-chloro-4-(4-chlorophenyl)-2-methylbutanamide (PubChem CID 67225206) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-chloro-4-(4-chlorophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-chloro-4-(4-chlorophenyl)-2-methylbutanamide
PubChem CID67225206
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2-chloro-4-(4-chlorophenyl)-2-methylbutanamide
SMILESCC(Cl)(CCc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C11H13Cl2NO/c1-11(13,10(14)15)7-6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H2,14,15)
InChIKeyDHOLEBYWQDCLDF-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.76
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

4-(4-chlorophenyl)-2-ethyl-2-methylbutanoic acid
CID 171407879
7-(4-chlorophenyl)-2-hydroxy-2-methylheptanoic acid
CID 150559838
[4-(4-chlorophenyl)-2-hydroxybutan-2-yl]-hydroxy-oxophosphanium
CID 70486859
2-(4-chlorophenyl)ethyl 3,3-dimethyl-2-methylidenebutanoate
CID 155660625
2-amino-N-[2-(4-chlorophenyl)ethyl]-N,2-dimethylpentanamide;hydrochloride
CID 119760310
2-(4-chlorophenyl)ethyl carbamate
CID 90103604
2-(4-chlorophenyl)ethyl 3,3-dimethyl-2-oxobutanoate
CID 155660628
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
CID 3044350
(2S)-3-(4-chlorophenyl)-2-hydroxy-2-methylpropanoic acid
CID 130693679
3-(4-chlorophenyl)propanoic acid;guanidine
CID 69413371
N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165826
2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 141041521

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chlorophenyl)-2-methylbutanamide?
The IUPAC name of 2-chloro-4-(4-chlorophenyl)-2-methylbutanamide (CID 67225206) is 2-chloro-4-(4-chlorophenyl)-2-methylbutanamide.
What is the SMILES notation for 2-chloro-4-(4-chlorophenyl)-2-methylbutanamide?
The canonical SMILES for 2-chloro-4-(4-chlorophenyl)-2-methylbutanamide is CC(Cl)(CCc1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of 2-chloro-4-(4-chlorophenyl)-2-methylbutanamide?
The InChIKey is DHOLEBYWQDCLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-11(13,10(14)15)7-6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H2,14,15).
What are the key properties of 2-chloro-4-(4-chlorophenyl)-2-methylbutanamide?
2-chloro-4-(4-chlorophenyl)-2-methylbutanamide has a molecular weight of 246.14 g/mol, XLogP of 2.76, 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)-2-methylbutanamide is sourced from PubChem (CID 67225206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).