2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide

C9H13Cl2NO — CID 86921284

IUPAC2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC2CC2)CC1(Cl)Cl
InChIInChI=1S/C9H13Cl2NO/c1-8(5-9(8,10)11)7(13)12-4-6-2-3-6/h6H,2-5H2,1H3,(H,12,13)
InChIKeyNKBHMUREYIXFIP-UHFFFAOYSA-N
MW222.11 g/mol
LogP2.10
Rot. Bonds3

About 2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 86921284) has the molecular formula C9H13Cl2NO and a molecular weight of 222.11 g/mol. Its IUPAC name is 2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide
PubChem CID86921284
Molecular FormulaC9H13Cl2NO
Molecular Weight222.11 g/mol
Exact Mass221.04
IUPAC Name2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC2CC2)CC1(Cl)Cl
InChIInChI=1S/C9H13Cl2NO/c1-8(5-9(8,10)11)7(13)12-4-6-2-3-6/h6H,2-5H2,1H3,(H,12,13)
InChIKeyNKBHMUREYIXFIP-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.11
LogP ≤ 52.10
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-[2-(2,2-dichlorocyclopropyl)ethyl]-2,2-dimethylpropanamide
CID 2805887
(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 95235951
2,2-dichloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide
CID 71884420
2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide
CID 78785037
2,2-Dichloro-1-methyl-cyclopropanecarboxylic-acid ethylamide
CID 44138896
N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide
CID 123355410
2,2-dichloro-N-[2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]ethyl]-1-methylcyclopropane-1-carboxamide
CID 4373317
N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide
CID 6929509
N-[2-[(1R)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide
CID 6929510
(1R)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide
CID 7310187
(1S)-2,2-dichloro-N-[2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]ethyl]-1-methylcyclopropane-1-carboxamide
CID 7310188

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide (CID 86921284) is 2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCC2CC2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is NKBHMUREYIXFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NO/c1-8(5-9(8,10)11)7(13)12-4-6-2-3-6/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 222.11 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 86921284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).