N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride

C14H19ClF2N2O2 — CID 119524438

IUPACN-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCC(=O)c1ccc(F)cc1F.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-14(2,8-17)18-13(20)6-5-12(19)10-4-3-9(15)7-11(10)16;/h3-4,7H,5-6,8,17H2,1-2H3,(H,18,20);1H
InChIKeyVQSMSYONROTDIH-UHFFFAOYSA-N
MW320.77 g/mol
LogP2.20
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride (PubChem CID 119524438) has the molecular formula C14H19ClF2N2O2 and a molecular weight of 320.77 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
PubChem CID119524438
Molecular FormulaC14H19ClF2N2O2
Molecular Weight320.77 g/mol
Exact Mass320.11
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCC(=O)c1ccc(F)cc1F.Cl
InChIInChI=1S/C14H18F2N2O2.ClH/c1-14(2,8-17)18-13(20)6-5-12(19)10-4-3-9(15)7-11(10)16;/h3-4,7H,5-6,8,17H2,1-2H3,(H,18,20);1H
InChIKeyVQSMSYONROTDIH-UHFFFAOYSA-N
XLogP2.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-amino-4-methylpentan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride
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4-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
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N-(4-aminocyclohexyl)-4-(2,4-difluorophenyl)-4-oxobutanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride (CID 119524438) is N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride is CC(C)(CN)NC(=O)CCC(=O)c1ccc(F)cc1F.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride?
The InChIKey is VQSMSYONROTDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2.ClH/c1-14(2,8-17)18-13(20)6-5-12(19)10-4-3-9(15)7-11(10)16;/h3-4,7H,5-6,8,17H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride has a molecular weight of 320.77 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119524438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).