2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide

C11H9Cl3FNO — CID 42910446

IUPAC2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)c(Cl)c2)CC1(Cl)Cl
InChIInChI=1S/C11H9Cl3FNO/c1-10(5-11(10,13)14)9(17)16-6-2-3-8(15)7(12)4-6/h2-4H,5H2,1H3,(H,16,17)
InChIKeyHOSFJSPJPJTKIW-UHFFFAOYSA-N
MW296.56 g/mol
LogP4.00
Rot. Bonds2

About 2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 42910446) has the molecular formula C11H9Cl3FNO and a molecular weight of 296.56 g/mol. Its IUPAC name is 2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
PubChem CID42910446
Molecular FormulaC11H9Cl3FNO
Molecular Weight296.56 g/mol
Exact Mass294.97
IUPAC Name2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)c(Cl)c2)CC1(Cl)Cl
InChIInChI=1S/C11H9Cl3FNO/c1-10(5-11(10,13)14)9(17)16-6-2-3-8(15)7(12)4-6/h2-4H,5H2,1H3,(H,16,17)
InChIKeyHOSFJSPJPJTKIW-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.56
LogP ≤ 54.00
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

2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide
CID 42910477
1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980871
2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 17071382
2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
CID 16624359
1-(4-acetylpiperazine-1-carbonyl)-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 108974500
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
1-(4-chlorophenyl)-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]urea
CID 4615513
N-(3-chloro-4-fluorophenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971674
4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide
CID 26636437
2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 43009787
1-carbamothioyl-N-(3-chloro-4-fluorophenyl)cyclobutane-1-carboxamide
CID 80592744
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide (CID 42910446) is 2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2ccc(F)c(Cl)c2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is HOSFJSPJPJTKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3FNO/c1-10(5-11(10,13)14)9(17)16-6-2-3-8(15)7(12)4-6/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 296.56 g/mol, XLogP of 4.00, 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-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 42910446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).