2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide

C12H12Cl2FNO — CID 42910477

IUPAC2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1F
InChIInChI=1S/C12H12Cl2FNO/c1-7-3-4-8(5-9(7)15)16-10(17)11(2)6-12(11,13)14/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyXERHNHUEMSLNHL-UHFFFAOYSA-N
MW276.14 g/mol
LogP3.66
Rot. Bonds2

About 2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 42910477) has the molecular formula C12H12Cl2FNO and a molecular weight of 276.14 g/mol. Its IUPAC name is 2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide
PubChem CID42910477
Molecular FormulaC12H12Cl2FNO
Molecular Weight276.14 g/mol
Exact Mass275.03
IUPAC Name2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1F
InChIInChI=1S/C12H12Cl2FNO/c1-7-3-4-8(5-9(7)15)16-10(17)11(2)6-12(11,13)14/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyXERHNHUEMSLNHL-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.66
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-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
CID 42910446
N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide
CID 172576185
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(3-fluoro-4-methylphenyl)cyclohexane-1-carboxamide
CID 88600403
1-[(3-fluoro-4-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096062
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 17071382
N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide
CID 155944841
2,2-dichloro-N-(3,4-diethoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 43009787
(5S,7R)-3-bromo-N-(3-fluoro-4-methylphenyl)adamantane-1-carboxamide
CID 7778661
2,2-dichloro-N-(1H-indazol-5-yl)-1-methylcyclopropane-1-carboxamide
CID 17164574
N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide
CID 46536638

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide (CID 42910477) is 2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1F.
What is the InChIKey of 2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is XERHNHUEMSLNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FNO/c1-7-3-4-8(5-9(7)15)16-10(17)11(2)6-12(11,13)14/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 276.14 g/mol, XLogP of 3.66, 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-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 42910477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).