3-fluoro-N-phenylpropanamide

C9H10FNO — CID 70366284

IUPAC3-fluoro-N-phenylpropanamide
SMILESO=C(CCF)Nc1ccccc1
InChIInChI=1S/C9H10FNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKeyNMGWDDZQZAYRNZ-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.98
Rot. Bonds3

About 3-fluoro-N-phenylpropanamide

3-fluoro-N-phenylpropanamide (PubChem CID 70366284) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-fluoro-N-phenylpropanamide.

Molecular Properties

Compound Name3-fluoro-N-phenylpropanamide
PubChem CID70366284
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-fluoro-N-phenylpropanamide
SMILESO=C(CCF)Nc1ccccc1
InChIInChI=1S/C9H10FNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKeyNMGWDDZQZAYRNZ-UHFFFAOYSA-N
XLogP1.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-4-methyl-N-phenylpentanamide
CID 564630
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
4-oxo-N,4-diphenylbutanamide
CID 825307
3-anilino-N-phenyl-3-sulfanylidenepropanamide
CID 2771545
(3-anilino-3-oxopropyl)-dimethylsulfanium
CID 10786108
4-(4-anilinoanilino)-4-oxobutanoic acid
CID 3582838
(3-anilino-3-oxopropyl)-trimethylazanium
CID 173269381
(4R)-4-hydroxy-N-phenylhexanamide
CID 155936166
(2-anilino-2-oxoethyl)sulfanium
CID 153278909
6-oxo-N-phenylhexanamide
CID 19422082

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-phenylpropanamide?
The IUPAC name of 3-fluoro-N-phenylpropanamide (CID 70366284) is 3-fluoro-N-phenylpropanamide.
What is the SMILES notation for 3-fluoro-N-phenylpropanamide?
The canonical SMILES for 3-fluoro-N-phenylpropanamide is O=C(CCF)Nc1ccccc1.
What is the InChIKey of 3-fluoro-N-phenylpropanamide?
The InChIKey is NMGWDDZQZAYRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-7-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12).
What are the key properties of 3-fluoro-N-phenylpropanamide?
3-fluoro-N-phenylpropanamide has a molecular weight of 167.18 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-phenylpropanamide is sourced from PubChem (CID 70366284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).