2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide

C13H14Cl3NO — CID 78784523

IUPAC2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C13H14Cl3NO/c1-12(8-13(12,15)16)11(18)17(2)7-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyWNBOTQKOXRBKAB-UHFFFAOYSA-N
MW306.62 g/mol
LogP3.88
Rot. Bonds3

About 2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide

2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide (PubChem CID 78784523) has the molecular formula C13H14Cl3NO and a molecular weight of 306.62 g/mol. Its IUPAC name is 2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide
PubChem CID78784523
Molecular FormulaC13H14Cl3NO
Molecular Weight306.62 g/mol
Exact Mass305.01
IUPAC Name2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C13H14Cl3NO/c1-12(8-13(12,15)16)11(18)17(2)7-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyWNBOTQKOXRBKAB-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.62
LogP ≤ 53.88
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

1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
N-[(4-chlorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80597882
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
(1S)-2,2-dichloro-N-[2-(4-chlorophenyl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 2229042
N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63140326
(2S)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124953808
(2R)-4-acetyl-N-[(4-chlorophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124953809
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide (CID 78784523) is 2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide?
The InChIKey is WNBOTQKOXRBKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3NO/c1-12(8-13(12,15)16)11(18)17(2)7-9-3-5-10(14)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide?
2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide has a molecular weight of 306.62 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(4-chlorophenyl)methyl]-N,1-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 78784523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).