N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide

C11H19Cl2NO — CID 58741319

IUPACN-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide
SMILESCCCCNC(=O)C1(CC)C(C)C1(Cl)Cl
InChIInChI=1S/C11H19Cl2NO/c1-4-6-7-14-9(15)10(5-2)8(3)11(10,12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyRLFCNBHCOWAZDD-UHFFFAOYSA-N
MW252.18 g/mol
LogP3.12
Rot. Bonds5

About N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide

N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide (PubChem CID 58741319) has the molecular formula C11H19Cl2NO and a molecular weight of 252.18 g/mol. Its IUPAC name is N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide
PubChem CID58741319
Molecular FormulaC11H19Cl2NO
Molecular Weight252.18 g/mol
Exact Mass251.08
IUPAC NameN-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide
SMILESCCCCNC(=O)C1(CC)C(C)C1(Cl)Cl
InChIInChI=1S/C11H19Cl2NO/c1-4-6-7-14-9(15)10(5-2)8(3)11(10,12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyRLFCNBHCOWAZDD-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11480684
N-[2-(2,2-dichlorocyclopropyl)ethyl]-2,2-dimethylpropanamide
CID 2805887
2,2-dichloro-N-(1-cyclohexylethyl)-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 76308721
2,2-dichloro-N-(1-cycloheptylethyl)-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 76308722
2,2-dichloro-N,3,3-trimethylcyclopropane-1-carboxamide
CID 76312945
2,2-dichloro-1-ethyl-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 76323278
2,2-dichloro-1-ethyl-3-methyl-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
CID 76323279
2,2-dichloro-N-[1-(2,2-dichlorocyclopropyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 76323352
2,2-dichloro-1-ethyl-3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclopropane-1-carboxamide
CID 76326931
N-butan-2-yl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 76330522
2,2-dichloro-N-(1-cyclopentylethyl)-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 76330523
2,2-dichloro-N-(1-cyclobutylethyl)-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 76334109

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide?
The IUPAC name of N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide (CID 58741319) is N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide is CCCCNC(=O)C1(CC)C(C)C1(Cl)Cl.
What is the InChIKey of N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide?
The InChIKey is RLFCNBHCOWAZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2NO/c1-4-6-7-14-9(15)10(5-2)8(3)11(10,12)13/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide?
N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide has a molecular weight of 252.18 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 58741319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).