N-(3,4-difluorophenyl)propanamide

C9H9F2NO — CID 4285365

IUPACN-(3,4-difluorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyNOLXVEWJNSFXRE-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.31
Rot. Bonds2

About N-(3,4-difluorophenyl)propanamide

N-(3,4-difluorophenyl)propanamide (PubChem CID 4285365) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)propanamide
PubChem CID4285365
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC NameN-(3,4-difluorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C9H9F2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyNOLXVEWJNSFXRE-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940959
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
N'-butan-2-yl-N-(3,4-difluorophenyl)propanediamide
CID 108941925
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
N-(3-fluoro-4-methylsulfinylphenyl)propanamide
CID 154749149
N-(4-cyano-3-fluorophenyl)propanamide
CID 130705875
N-[6-[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
CID 42139235
CID 143868292
CID 143868292
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)propanamide?
The IUPAC name of N-(3,4-difluorophenyl)propanamide (CID 4285365) is N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)propanamide is CCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)propanamide?
The InChIKey is NOLXVEWJNSFXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of N-(3,4-difluorophenyl)propanamide?
N-(3,4-difluorophenyl)propanamide has a molecular weight of 185.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 4285365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).