2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane

C17H25Cl2NO — CID 142084166

IUPAC2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane
SMILESCC.CC(NC(=O)C1(C)C(C)C1(C)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H19Cl2NO.C2H6/c1-9(11-5-7-12(16)8-6-11)18-13(19)14(3)10(2)15(14,4)17;1-2/h5-10H,1-4H3,(H,18,19);1-2H3
InChIKeyDMHZIHXRSNBMHG-UHFFFAOYSA-N
MW330.30 g/mol
LogP5.20
Rot. Bonds3

About 2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane

2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane (PubChem CID 142084166) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane
PubChem CID142084166
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC Name2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane
SMILESCC.CC(NC(=O)C1(C)C(C)C1(C)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H19Cl2NO.C2H6/c1-9(11-5-7-12(16)8-6-11)18-13(19)14(3)10(2)15(14,4)17;1-2/h5-10H,1-4H3,(H,18,19);1-2H3
InChIKeyDMHZIHXRSNBMHG-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
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

(3S)-2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 163948373
trans-(1S,3R)-2,2-dichloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 24805345
methane;sulfane;trans-(1S,3R)-2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 169428087
1-[1-(4-chlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62095918
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-3-methylcyclopropane-1-carboxamide
CID 18433836
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
1-carbamothioyl-N-[1-(4-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 80589221
N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide
CID 10750570
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane?
The IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane (CID 142084166) is 2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane.
What is the SMILES notation for 2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane?
The canonical SMILES for 2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane is CC.CC(NC(=O)C1(C)C(C)C1(C)Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane?
The InChIKey is DMHZIHXRSNBMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO.C2H6/c1-9(11-5-7-12(16)8-6-11)18-13(19)14(3)10(2)15(14,4)17;1-2/h5-10H,1-4H3,(H,18,19);1-2H3.
What are the key properties of 2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane?
2-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane has a molecular weight of 330.30 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-chloro-N-[1-(4-chlorophenyl)ethyl]-1,2,3-trimethylcyclopropane-1-carboxamide;ethane is sourced from PubChem (CID 142084166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).