2-(4-fluorophenyl)-3-methyl-N-propylbutanamide

C14H20FNO — CID 110316805

IUPAC2-(4-fluorophenyl)-3-methyl-N-propylbutanamide
SMILESCCCNC(=O)C(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H20FNO/c1-4-9-16-14(17)13(10(2)3)11-5-7-12(15)8-6-11/h5-8,10,13H,4,9H2,1-3H3,(H,16,17)
InChIKeyWNIAWUXASKKQBS-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.09
Rot. Bonds5

About 2-(4-fluorophenyl)-3-methyl-N-propylbutanamide

2-(4-fluorophenyl)-3-methyl-N-propylbutanamide (PubChem CID 110316805) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-N-propylbutanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-N-propylbutanamide
PubChem CID110316805
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name2-(4-fluorophenyl)-3-methyl-N-propylbutanamide
SMILESCCCNC(=O)C(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H20FNO/c1-4-9-16-14(17)13(10(2)3)11-5-7-12(15)8-6-11/h5-8,10,13H,4,9H2,1-3H3,(H,16,17)
InChIKeyWNIAWUXASKKQBS-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316809
N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110312950
(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride
CID 56635830
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60540976
(2R)-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 10888841
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
CID 110312935
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110619451
(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-N-propylpropanamide
CID 8733653
2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide
CID 43684863

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methyl-N-propylbutanamide?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-N-propylbutanamide (CID 110316805) is 2-(4-fluorophenyl)-3-methyl-N-propylbutanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-N-propylbutanamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-N-propylbutanamide is CCCNC(=O)C(c1ccc(F)cc1)C(C)C.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-N-propylbutanamide?
The InChIKey is WNIAWUXASKKQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-9-16-14(17)13(10(2)3)11-5-7-12(15)8-6-11/h5-8,10,13H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-fluorophenyl)-3-methyl-N-propylbutanamide?
2-(4-fluorophenyl)-3-methyl-N-propylbutanamide has a molecular weight of 237.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methyl-N-propylbutanamide is sourced from PubChem (CID 110316805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).