3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide

C14H20FNO — CID 48846361

IUPAC3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-10(2)9-16-14(17)11(3)8-12-4-6-13(15)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyZPGFNBSXBXOSQL-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.78
Rot. Bonds5

About 3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide

3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 48846361) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID48846361
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-10(2)9-16-14(17)11(3)8-12-4-6-13(15)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
InChIKeyZPGFNBSXBXOSQL-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 110302878
3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide
CID 110357206
3-(4-fluorophenyl)-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110302461
3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 110310309
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 28540557
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide
CID 112516304
N-[(4-fluorophenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 133172881
4-methyl-2-[[[2-methyl-3-(4-methylphenyl)propanoyl]amino]methyl]pentanoic acid
CID 120688017

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide (CID 48846361) is 3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is ZPGFNBSXBXOSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(2)9-16-14(17)11(3)8-12-4-6-13(15)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide?
3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 237.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 48846361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).