N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide

C9H15Cl2NO — CID 78833364

IUPACN-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C9H15Cl2NO/c1-3-4-5-12(2)8(13)7-6-9(7,10)11/h7H,3-6H2,1-2H3
InChIKeyDNUOGNWGNJOGFL-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.44
Rot. Bonds4

About N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide

N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide (PubChem CID 78833364) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide
PubChem CID78833364
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC NameN-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CC1(Cl)Cl
InChIInChI=1S/C9H15Cl2NO/c1-3-4-5-12(2)8(13)7-6-9(7,10)11/h7H,3-6H2,1-2H3
InChIKeyDNUOGNWGNJOGFL-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide (CID 78833364) is N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide is CCCCN(C)C(=O)C1CC1(Cl)Cl.
What is the InChIKey of N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide?
The InChIKey is DNUOGNWGNJOGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c1-3-4-5-12(2)8(13)7-6-9(7,10)11/h7H,3-6H2,1-2H3.
What are the key properties of N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide?
N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide has a molecular weight of 224.13 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dichloro-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 78833364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).