N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide

C14H21FN2O — CID 63754538

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(C)CC(CN)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-10(2)7-13(9-16)17-14(18)8-11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyJLGXSTWYSVGMGR-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.86
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide

N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 63754538) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID63754538
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCC(C)CC(CN)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-10(2)7-13(9-16)17-14(18)8-11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyJLGXSTWYSVGMGR-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 113275009
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 119587580
N-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260
N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92738396
N-[(1R)-1-cyano-3-methylbutyl]-2-(4-fluorophenyl)acetamide
CID 94689384
N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119588010
N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119585414
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
CID 119588182

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide (CID 63754538) is N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide is CC(C)CC(CN)NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is JLGXSTWYSVGMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)7-13(9-16)17-14(18)8-11-3-5-12(15)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide?
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 252.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 63754538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).