N-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide

C10H17Cl2NO — CID 59109322

IUPACN-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide
SMILESCCCCNC(=O)C1(C)C(C)C1(Cl)Cl
InChIInChI=1S/C10H17Cl2NO/c1-4-5-6-13-8(14)9(3)7(2)10(9,11)12/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyCLCLMEMMKZBTGB-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.73
Rot. Bonds4

About N-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide

N-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide (PubChem CID 59109322) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is N-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide
PubChem CID59109322
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC NameN-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide
SMILESCCCCNC(=O)C1(C)C(C)C1(Cl)Cl
InChIInChI=1S/C10H17Cl2NO/c1-4-5-6-13-8(14)9(3)7(2)10(9,11)12/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyCLCLMEMMKZBTGB-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.73
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,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
(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 95235951

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide (CID 59109322) is N-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide is CCCCNC(=O)C1(C)C(C)C1(Cl)Cl.
What is the InChIKey of N-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide?
The InChIKey is CLCLMEMMKZBTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c1-4-5-6-13-8(14)9(3)7(2)10(9,11)12/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of N-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide?
N-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide has a molecular weight of 238.16 g/mol, XLogP of 2.73, 4 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-1,3-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 59109322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).