2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide

C11H19Cl2NO — CID 78784669

IUPAC2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H19Cl2NO/c1-4-6-14(7-5-2)9(15)10(3)8-11(10,12)13/h4-8H2,1-3H3
InChIKeyYAMFVHMGXNCBKE-UHFFFAOYSA-N
MW252.18 g/mol
LogP3.22
Rot. Bonds5

About 2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide (PubChem CID 78784669) has the molecular formula C11H19Cl2NO and a molecular weight of 252.18 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide
PubChem CID78784669
Molecular FormulaC11H19Cl2NO
Molecular Weight252.18 g/mol
Exact Mass251.08
IUPAC Name2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C11H19Cl2NO/c1-4-6-14(7-5-2)9(15)10(3)8-11(10,12)13/h4-8H2,1-3H3
InChIKeyYAMFVHMGXNCBKE-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-2,2-dichloro-1-methylcyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 1770365
(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 95235951
2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78865272
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)-(3-fluoroazetidin-1-yl)methanone
CID 130612894
2,2-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylcyclopropane-1-carboxamide
CID 47031210
(2,2-Dichloro-1-methylcyclopropyl)-(4-ethylpiperazin-1-yl)methanone
CID 4117823
(2,2-Dichloro-1-methylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 4244250
2,2-Dichloro-1-methylcyclopropyl 4-methylpiperazinyl ketone
CID 4286728
N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide
CID 10847506
1,2,2-trichloro-N,N-diethylcyclopropane-1-carboxamide
CID 20162053

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide (CID 78784669) is 2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide is CCCN(CCC)C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide?
The InChIKey is YAMFVHMGXNCBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2NO/c1-4-6-14(7-5-2)9(15)10(3)8-11(10,12)13/h4-8H2,1-3H3.
What are the key properties of 2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide has a molecular weight of 252.18 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-1-methyl-N,N-dipropylcyclopropane-1-carboxamide is sourced from PubChem (CID 78784669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).