2-cyclopropyl-N-(3,4-difluorophenyl)propanamide

C12H13F2NO — CID 110428971

IUPAC2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C12H13F2NO/c1-7(8-2-3-8)12(16)15-9-4-5-10(13)11(14)6-9/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeyHTAONBOZBHXDIA-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.95
Rot. Bonds3

About 2-cyclopropyl-N-(3,4-difluorophenyl)propanamide

2-cyclopropyl-N-(3,4-difluorophenyl)propanamide (PubChem CID 110428971) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
PubChem CID110428971
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C12H13F2NO/c1-7(8-2-3-8)12(16)15-9-4-5-10(13)11(14)6-9/h4-8H,2-3H2,1H3,(H,15,16)
InChIKeyHTAONBOZBHXDIA-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide
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3-(3,4-difluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114896864
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
2-cyclopropyl-N-[4-(1-hydroxyethyl)phenyl]propanamide
CID 83148427
2-cyclopropyl-N-(3-iodophenyl)propanamide
CID 79507143
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
N-(4-chlorophenyl)-2-(4-ethylcyclohexyl)propanamide
CID 137389651
2-cyclopropyl-N-(2-fluoro-4-hydroxyphenyl)propanamide
CID 83154239
2-cyclopropyl-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 83154940
N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 24506608
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 2-cyclopropyl-N-(3,4-difluorophenyl)propanamide (CID 110428971) is 2-cyclopropyl-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 2-cyclopropyl-N-(3,4-difluorophenyl)propanamide is CC(C(=O)Nc1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(3,4-difluorophenyl)propanamide?
The InChIKey is HTAONBOZBHXDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-7(8-2-3-8)12(16)15-9-4-5-10(13)11(14)6-9/h4-8H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-N-(3,4-difluorophenyl)propanamide?
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide has a molecular weight of 225.24 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 110428971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).