2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide

C11H12Cl3NO — CID 43167904

IUPAC2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
SMILESCC(Cl)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl3NO/c1-7(12)11(16)15(2)6-8-3-4-9(13)10(14)5-8/h3-5,7H,6H2,1-2H3
InChIKeyDFNYBVYCAFFPRV-UHFFFAOYSA-N
MW280.58 g/mol
LogP3.58
Rot. Bonds3

About 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide

2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide (PubChem CID 43167904) has the molecular formula C11H12Cl3NO and a molecular weight of 280.58 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
PubChem CID43167904
Molecular FormulaC11H12Cl3NO
Molecular Weight280.58 g/mol
Exact Mass279.00
IUPAC Name2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
SMILESCC(Cl)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl3NO/c1-7(12)11(16)15(2)6-8-3-4-9(13)10(14)5-8/h3-5,7H,6H2,1-2H3
InChIKeyDFNYBVYCAFFPRV-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.58
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 112792521
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
CID 78771053
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 55123171
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983504
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119683610
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783873
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide (CID 43167904) is 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide is CC(Cl)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide?
The InChIKey is DFNYBVYCAFFPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO/c1-7(12)11(16)15(2)6-8-3-4-9(13)10(14)5-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide?
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide has a molecular weight of 280.58 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 43167904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).