2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide

C12H12ClF2NO — CID 115525365

IUPAC2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide
SMILESO=C(NC1CC1)C(Cl)c1ccc(C(F)F)cc1
InChIInChI=1S/C12H12ClF2NO/c13-10(12(17)16-9-5-6-9)7-1-3-8(4-2-7)11(14)15/h1-4,9-11H,5-6H2,(H,16,17)
InChIKeyHOSICBGZAFVJDN-UHFFFAOYSA-N
MW259.68 g/mol
LogP3.18
Rot. Bonds4

About 2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide

2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide (PubChem CID 115525365) has the molecular formula C12H12ClF2NO and a molecular weight of 259.68 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide
PubChem CID115525365
Molecular FormulaC12H12ClF2NO
Molecular Weight259.68 g/mol
Exact Mass259.06
IUPAC Name2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide
SMILESO=C(NC1CC1)C(Cl)c1ccc(C(F)F)cc1
InChIInChI=1S/C12H12ClF2NO/c13-10(12(17)16-9-5-6-9)7-1-3-8(4-2-7)11(14)15/h1-4,9-11H,5-6H2,(H,16,17)
InChIKeyHOSICBGZAFVJDN-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 53.18
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-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
2-chloro-N-cyclohexyl-2-[4-(difluoromethoxy)phenyl]acetamide
CID 62226849
N-(4-aminocyclohexyl)-2-chloro-2-phenylacetamide
CID 62318890
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
2-chloro-N-cyclopropyl-2-(3-fluorophenyl)acetamide
CID 62225506
2-chloro-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide
CID 62224974
2-chloro-N-cyclopropyl-2-pyridin-3-ylacetamide
CID 62225149
2-chloro-N-cyclopentyl-2-(4-fluoro-3-methylphenyl)acetamide
CID 62224609
2-chloro-2-phenyl-N-(4-propylcyclohexyl)acetamide
CID 63463548
2-chloro-N-cyclopentyl-2-(4-propoxyphenyl)acetamide
CID 62496113
methyl 2-chloro-2-[4-(difluoromethyl)phenyl]acetate
CID 115525358
2-chloro-N-cyclopentyl-2-(6-methyl-3-pyridinyl)acetamide
CID 104823455

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide (CID 115525365) is 2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide is O=C(NC1CC1)C(Cl)c1ccc(C(F)F)cc1.
What is the InChIKey of 2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide?
The InChIKey is HOSICBGZAFVJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO/c13-10(12(17)16-9-5-6-9)7-1-3-8(4-2-7)11(14)15/h1-4,9-11H,5-6H2,(H,16,17).
What are the key properties of 2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide?
2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide has a molecular weight of 259.68 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-2-[4-(difluoromethyl)phenyl]acetamide is sourced from PubChem (CID 115525365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).