3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide

C12H15Cl2NO — CID 19429474

IUPAC3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl2NO/c1-12(2,8-13)11(16)15-7-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeySWIPGBKBRYDEOK-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.22
Rot. Bonds4

About 3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide

3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide (PubChem CID 19429474) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide
PubChem CID19429474
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H15Cl2NO/c1-12(2,8-13)11(16)15-7-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeySWIPGBKBRYDEOK-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 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 ≤ 53.22
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-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
3-chloro-2,2-dimethyl-N-[(3-methylphenyl)methyl]propanamide
CID 63680580
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 81489065
N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpropanamide
CID 134092373
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959825
N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958370
2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 78907391
N-[(4-chlorophenyl)methyl]-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108962820
3-[(4-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanamide
CID 56813966
2-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-methylpropanamide;hydrochloride
CID 119317662
3-chloro-2,2-dimethyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 63680751

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide (CID 19429474) is 3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is SWIPGBKBRYDEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-12(2,8-13)11(16)15-7-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide?
3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 260.16 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 19429474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).