2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide

C12H19Cl2NO — CID 78786081

IUPAC2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C12H19Cl2NO/c1-3-6-15(7-9-4-5-9)10(16)11(2)8-12(11,13)14/h9H,3-8H2,1-2H3
InChIKeyMDXJBLLQPDZMQO-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.22
Rot. Bonds5

About 2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide

2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide (PubChem CID 78786081) has the molecular formula C12H19Cl2NO and a molecular weight of 264.20 g/mol. Its IUPAC name is 2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide
PubChem CID78786081
Molecular FormulaC12H19Cl2NO
Molecular Weight264.20 g/mol
Exact Mass263.08
IUPAC Name2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C12H19Cl2NO/c1-3-6-15(7-9-4-5-9)10(16)11(2)8-12(11,13)14/h9H,3-8H2,1-2H3
InChIKeyMDXJBLLQPDZMQO-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78882906
N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78884120
(2,2-Dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 4244250
2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide
CID 86921284
1-(chloromethyl)-N,N-diethylcyclopropane-1-carboxamide
CID 67895862
N-[(1-methylcyclopropyl)methyl]-N-propylcyclopropanecarboxamide
CID 122692182
2,2-dichloro-N-ethyl-N-methylcyclopropane-1-carboxamide
CID 123206805
(2,2-Dichloro-1-methylcyclopropyl)-(3-methylpiperidin-1-yl)methanone
CID 4277660
2,2-dichloro-N-(2-cyanoethyl)-N-(2,2-dimethylpropyl)-1-methylcyclopropane-1-carboxamide
CID 56805983
2,2-dichloro-N-[4-[(2,2-dichloro-1-methylcyclopropanecarbonyl)-methylamino]butyl]-N,1-dimethylcyclopropane-1-carboxamide
CID 60324579
3-chloro-N,N-bis(cyclopropylmethyl)-2,2-dimethylpropanamide
CID 64215018
4-chloro-N,N-bis(cyclopropylmethyl)butanamide
CID 64215595

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide (CID 78786081) is 2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide is CCCN(CC1CC1)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide?
The InChIKey is MDXJBLLQPDZMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Cl2NO/c1-3-6-15(7-9-4-5-9)10(16)11(2)8-12(11,13)14/h9H,3-8H2,1-2H3.
What are the key properties of 2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide?
2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide has a molecular weight of 264.20 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(cyclopropylmethyl)-1-methyl-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 78786081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).