2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide

C11H9Cl4NO — CID 43004730

IUPAC2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)cc2Cl)CC1(Cl)Cl
InChIInChI=1S/C11H9Cl4NO/c1-10(5-11(10,14)15)9(17)16-8-3-2-6(12)4-7(8)13/h2-4H,5H2,1H3,(H,16,17)
InChIKeyZEOSWLRBLURMFG-UHFFFAOYSA-N
MW313.01 g/mol
LogP4.52
Rot. Bonds2

About 2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 43004730) has the molecular formula C11H9Cl4NO and a molecular weight of 313.01 g/mol. Its IUPAC name is 2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide
PubChem CID43004730
Molecular FormulaC11H9Cl4NO
Molecular Weight313.01 g/mol
Exact Mass310.94
IUPAC Name2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)cc2Cl)CC1(Cl)Cl
InChIInChI=1S/C11H9Cl4NO/c1-10(5-11(10,14)15)9(17)16-8-3-2-6(12)4-7(8)13/h2-4H,5H2,1H3,(H,16,17)
InChIKeyZEOSWLRBLURMFG-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.01
LogP ≤ 54.52
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

(2R)-N-(2,4-dichlorophenyl)-2-methyloxirane-2-carboxamide
CID 7067086
2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
CID 42910446
(1S)-2,2-dichloro-N-(5-chloro-2-piperidin-1-ylphenyl)-1-methylcyclopropane-1-carboxamide
CID 26209054
N-(2,4-dichlorophenyl)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 4628369
N-(2,4-dichlorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971732
N-(2,4-dichlorophenyl)propanamide
CID 923083
2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
CID 16624359
(1R,4S)-N-(2,4-dichlorophenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 98138048
3-amino-N-(2,4-dichlorophenyl)oxolane-3-carboxamide
CID 64892685
1-(4-chlorophenyl)-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]urea
CID 4615513
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
(1R,4S)-N-(2,4-dichlorophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 98086138

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide (CID 43004730) is 2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2ccc(Cl)cc2Cl)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is ZEOSWLRBLURMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl4NO/c1-10(5-11(10,14)15)9(17)16-8-3-2-6(12)4-7(8)13/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 313.01 g/mol, XLogP of 4.52, 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-(2,4-dichlorophenyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43004730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).