(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide

C9H15Cl2NO — CID 95235951

IUPAC(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCCCCNC(=O)[C@@]1(C)CC1(Cl)Cl
InChIInChI=1S/C9H15Cl2NO/c1-3-4-5-12-7(13)8(2)6-9(8,10)11/h3-6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyFPAYFUMUGXCBRD-MRVPVSSYSA-N
MW224.13 g/mol
LogP2.49
Rot. Bonds4

About (1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide

(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide (PubChem CID 95235951) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is (1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide
PubChem CID95235951
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCCCCNC(=O)[C@@]1(C)CC1(Cl)Cl
InChIInChI=1S/C9H15Cl2NO/c1-3-4-5-12-7(13)8(2)6-9(8,10)11/h3-6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyFPAYFUMUGXCBRD-MRVPVSSYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.49
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-(2-aminoethyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 130652201
2,2-dichloro-1-methyl-N-[2-(2-methylpropanoylamino)ethyl]cyclopropane-1-carboxamide
CID 43005392
2,2-dichloro-1-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]cyclopropane-1-carboxamide
CID 42959803
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
N-butyl-1-ethylcyclopropane-1-carboxamide;ethane
CID 171795822
(1R)-2,2-dichloro-N-(cyclopentylmethyl)-1-methylcyclopropane-1-carboxamide
CID 93233548
2,2-dichloro-N'-ethyl-N',1-dimethylcyclopropane-1-carbohydrazide
CID 130638290
2,2-dichloro-1-methyl-N-(2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 42910761
2,2-dichloro-1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopropane-1-carboxamide
CID 46474945
N-butylcarbamoyl chloride
CID 14251115
2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]pentanoic acid
CID 115923942
(1S)-2,2-dichloro-N-[2-[4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperazin-1-yl]sulfonylethyl]-1-methylcyclopropane-1-carboxamide
CID 51965989

Frequently Asked Questions

What is the IUPAC name of (1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide (CID 95235951) is (1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide is CCCCNC(=O)[C@@]1(C)CC1(Cl)Cl.
What is the InChIKey of (1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The InChIKey is FPAYFUMUGXCBRD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-3-4-5-12-7(13)8(2)6-9(8,10)11/h3-6H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide has a molecular weight of 224.13 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 95235951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).