2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide

C13H23Cl2NO — CID 78872340

IUPAC2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide
SMILESCCC(CC)CN(CC)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C13H23Cl2NO/c1-5-10(6-2)8-16(7-3)11(17)12(4)9-13(12,14)15/h10H,5-9H2,1-4H3
InChIKeyFVMHUSVATSJJHX-UHFFFAOYSA-N
MW280.24 g/mol
LogP3.86
Rot. Bonds6

About 2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 78872340) has the molecular formula C13H23Cl2NO and a molecular weight of 280.24 g/mol. Its IUPAC name is 2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide
PubChem CID78872340
Molecular FormulaC13H23Cl2NO
Molecular Weight280.24 g/mol
Exact Mass279.12
IUPAC Name2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide
SMILESCCC(CC)CN(CC)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C13H23Cl2NO/c1-5-10(6-2)8-16(7-3)11(17)12(4)9-13(12,14)15/h10H,5-9H2,1-4H3
InChIKeyFVMHUSVATSJJHX-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 53.86
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

(2,2-Dichloro-1-methylcyclopropyl)-(3-ethylpiperidin-1-yl)methanone
CID 45816468
2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78882906
N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78884120
(2,2-Dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 4244250
1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide
CID 67895862
2,2-dichloro-N-ethyl-N-methylcyclopropane-1-carboxamide
CID 123206805
[(1R)-2,2-dichloro-1-methylcyclopropyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 148300609
[(1S)-2,2-dichloro-1-methylcyclopropyl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155469711
(2,2-Dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155470189
(2,2-Dichlorocyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155470229
azepan-1-yl-[(1S)-2,2-dichloro-1-methylcyclopropyl]methanone
CID 1770354
azepan-1-yl-[(1R)-2,2-dichloro-1-methylcyclopropyl]methanone
CID 1770355

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide (CID 78872340) is 2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide is CCC(CC)CN(CC)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is FVMHUSVATSJJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl2NO/c1-5-10(6-2)8-16(7-3)11(17)12(4)9-13(12,14)15/h10H,5-9H2,1-4H3.
What are the key properties of 2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 280.24 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-ethyl-N-(2-ethylbutyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 78872340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).