3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide

C14H20FNO — CID 56919846

IUPAC3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-11(2)9-10-16-14(17)8-5-12-3-6-13(15)7-4-12/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17)
InChIKeyICWVOLCNPHCDCG-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.92
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide

3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide (PubChem CID 56919846) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
PubChem CID56919846
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-11(2)9-10-16-14(17)8-5-12-3-6-13(15)7-4-12/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17)
InChIKeyICWVOLCNPHCDCG-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide
CID 109021206
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 108531969
(2S)-4-[3-(4-fluorophenyl)propanoylamino]-2-hydroxybutanoic acid
CID 114006677
N,N-dimethyl-4-[3-(3-methylbutylamino)-3-oxopropyl]benzamide
CID 110300026
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 43112605
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
CID 143274718
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(3-methylbutyl)propanamide
CID 113139337
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide (CID 56919846) is 3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide?
The InChIKey is ICWVOLCNPHCDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11(2)9-10-16-14(17)8-5-12-3-6-13(15)7-4-12/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide?
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide has a molecular weight of 237.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 56919846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).