3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide

C12H15Cl2NO — CID 63679947

IUPAC3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)CCl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-8-4-5-9(6-10(8)14)15-11(16)12(2,3)7-13/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyFGVVGKDUHVFTMD-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.85
Rot. Bonds3

About 3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide

3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide (PubChem CID 63679947) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide
PubChem CID63679947
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)CCl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-8-4-5-9(6-10(8)14)15-11(16)12(2,3)7-13/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyFGVVGKDUHVFTMD-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.85
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

N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968011
3-[(3-chloro-2,2-dimethylpropanoyl)amino]benzoic acid
CID 63679590
1-(4-tert-butylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 108884728
N-(3-chloro-4-methylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967810
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
3-chloro-2,2-dimethyl-N-pyridin-4-ylpropanamide
CID 63680701
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
N-(3-bromo-4-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 104776270
N-(4-bromo-3-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 65436510
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119
3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 82109369

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide (CID 63679947) is 3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide is Cc1ccc(NC(=O)C(C)(C)CCl)cc1Cl.
What is the InChIKey of 3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide?
The InChIKey is FGVVGKDUHVFTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-8-4-5-9(6-10(8)14)15-11(16)12(2,3)7-13/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide?
3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide has a molecular weight of 260.16 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 63679947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).