3-(4-fluorophenyl)-N-methylpropanamide

C10H12FNO — CID 22113929

IUPAC3-(4-fluorophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3,(H,12,13)
InChIKeyVTGXTJUYEDWBRL-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.50
Rot. Bonds3

About 3-(4-fluorophenyl)-N-methylpropanamide

3-(4-fluorophenyl)-N-methylpropanamide (PubChem CID 22113929) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methylpropanamide
PubChem CID22113929
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-(4-fluorophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C10H12FNO/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3,(H,12,13)
InChIKeyVTGXTJUYEDWBRL-UHFFFAOYSA-N
XLogP1.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-methylpropanamide (CID 22113929) is 3-(4-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-methylpropanamide is CNC(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methylpropanamide?
The InChIKey is VTGXTJUYEDWBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7H2,1H3,(H,12,13).
What are the key properties of 3-(4-fluorophenyl)-N-methylpropanamide?
3-(4-fluorophenyl)-N-methylpropanamide has a molecular weight of 181.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 22113929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).