2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide

C9H13Cl2NO — CID 78790788

IUPAC2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCC1)C1CC1(Cl)Cl
InChIInChI=1S/C9H13Cl2NO/c10-9(11)5-7(9)8(13)12-6-3-1-2-4-6/h6-7H,1-5H2,(H,12,13)
InChIKeyYCFNNOOSQLFSAK-UHFFFAOYSA-N
MW222.11 g/mol
LogP2.24
Rot. Bonds2

About 2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide

2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide (PubChem CID 78790788) has the molecular formula C9H13Cl2NO and a molecular weight of 222.11 g/mol. Its IUPAC name is 2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide
PubChem CID78790788
Molecular FormulaC9H13Cl2NO
Molecular Weight222.11 g/mol
Exact Mass221.04
IUPAC Name2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCC1)C1CC1(Cl)Cl
InChIInChI=1S/C9H13Cl2NO/c10-9(11)5-7(9)8(13)12-6-3-1-2-4-6/h6-7H,1-5H2,(H,12,13)
InChIKeyYCFNNOOSQLFSAK-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 52.24
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

N-cyclopentyl-2,2-dimethylcyclopropane-1-carboxamide
CID 103837196
N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 131203583
N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride
CID 131203582
N-cyclopentyl-5-azaspiro[2.3]hexane-2-carboxamide;hydrochloride
CID 131065840
N-cyclopentyl-2-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 17421584
N-cyclopropyl-2,2-dimethylcyclopropane-1-carboxamide
CID 103837193
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cyclopentylcyclobutanecarboxamide
CID 21158774
(1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide
CID 98349175

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide (CID 78790788) is 2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide is O=C(NC1CCCC1)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide?
The InChIKey is YCFNNOOSQLFSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NO/c10-9(11)5-7(9)8(13)12-6-3-1-2-4-6/h6-7H,1-5H2,(H,12,13).
What are the key properties of 2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide?
2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide has a molecular weight of 222.11 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide is sourced from PubChem (CID 78790788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).