2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane

C15H22Cl3NO — CID 143534817

IUPAC2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane
SMILESCC.CC.O=C(NCc1ccc(Cl)cc1)C1CC1(Cl)Cl
InChIInChI=1S/C11H10Cl3NO.2C2H6/c12-8-3-1-7(2-4-8)6-15-10(16)9-5-11(9,13)14;2*1-2/h1-4,9H,5-6H2,(H,15,16);2*1-2H3
InChIKeyMCBJVJVXVJPBMV-UHFFFAOYSA-N
MW338.71 g/mol
LogP5.20
Rot. Bonds3

About 2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane

2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane (PubChem CID 143534817) has the molecular formula C15H22Cl3NO and a molecular weight of 338.71 g/mol. Its IUPAC name is 2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane.

Molecular Properties

Compound Name2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane
PubChem CID143534817
Molecular FormulaC15H22Cl3NO
Molecular Weight338.71 g/mol
Exact Mass337.08
IUPAC Name2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane
SMILESCC.CC.O=C(NCc1ccc(Cl)cc1)C1CC1(Cl)Cl
InChIInChI=1S/C11H10Cl3NO.2C2H6/c12-8-3-1-7(2-4-8)6-15-10(16)9-5-11(9,13)14;2*1-2/h1-4,9H,5-6H2,(H,15,16);2*1-2H3
InChIKeyMCBJVJVXVJPBMV-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.71
LogP ≤ 55.20
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

(1R)-2,2-dichloro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 7959638
2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 78884991
cis-(1R,3S)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091534
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872
2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496
4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109148509
2-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-N-[(4-chlorophenyl)methyl]-2-oxoacetamide
CID 108507723
N-[[4-(chloromethyl)phenyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107233411
1-[(4-chlorophenyl)methyl]-3-(6-methylspiro[3.3]heptan-2-yl)urea
CID 170378931
1-amino-3-[(4-chlorophenyl)methyl]urea
CID 43163863
N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide
CID 24654786

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane?
The IUPAC name of 2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane (CID 143534817) is 2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane.
What is the SMILES notation for 2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane?
The canonical SMILES for 2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane is CC.CC.O=C(NCc1ccc(Cl)cc1)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane?
The InChIKey is MCBJVJVXVJPBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO.2C2H6/c12-8-3-1-7(2-4-8)6-15-10(16)9-5-11(9,13)14;2*1-2/h1-4,9H,5-6H2,(H,15,16);2*1-2H3.
What are the key properties of 2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane?
2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane has a molecular weight of 338.71 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane is sourced from PubChem (CID 143534817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).