N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide

C15H22F2N2O — CID 119585666

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide
SMILESCC(C)CC(CN)NC(=O)CCc1cccc(F)c1F
InChIInChI=1S/C15H22F2N2O/c1-10(2)8-12(9-18)19-14(20)7-6-11-4-3-5-13(16)15(11)17/h3-5,10,12H,6-9,18H2,1-2H3,(H,19,20)
InChIKeyLCHMKHCHBMUEAD-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.39
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide

N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide (PubChem CID 119585666) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide
PubChem CID119585666
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide
SMILESCC(C)CC(CN)NC(=O)CCc1cccc(F)c1F
InChIInChI=1S/C15H22F2N2O/c1-10(2)8-12(9-18)19-14(20)7-6-11-4-3-5-13(16)15(11)17/h3-5,10,12H,6-9,18H2,1-2H3,(H,19,20)
InChIKeyLCHMKHCHBMUEAD-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
(2S)-2-[3-(2,3-difluorophenyl)propanoylamino]propanoic acid
CID 119238181
N-(1-bromo-4-methylpentan-2-yl)-2-(2,3-difluorophenyl)acetamide
CID 114311830
N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride
CID 119996136
N-(1-amino-4-methylpentan-2-yl)-3-(3-methylphenyl)propanamide
CID 63753250
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 110833187
N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
CID 119587842
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
(2S)-3-[3-(2,3-difluorophenyl)propanoylamino]-2-methylpropanoic acid
CID 97324559
3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 107272981
N-(1-amino-4-methylpentan-2-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 119587580
N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide
CID 81486896

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide (CID 119585666) is N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide is CC(C)CC(CN)NC(=O)CCc1cccc(F)c1F.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide?
The InChIKey is LCHMKHCHBMUEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-10(2)8-12(9-18)19-14(20)7-6-11-4-3-5-13(16)15(11)17/h3-5,10,12H,6-9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide?
N-(1-amino-4-methylpentan-2-yl)-3-(2,3-difluorophenyl)propanamide has a molecular weight of 284.35 g/mol, XLogP of 2.39, 7 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)-3-(2,3-difluorophenyl)propanamide is sourced from PubChem (CID 119585666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).