N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide

C24H28F2N2O3 — CID 68537082

IUPACN-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1C(=O)Cc2ccc(C(C)C)cc21
InChIInChI=1S/C24H28F2N2O3/c1-13(2)16-4-5-17-10-22(30)24(20(17)9-16)27-12-23(31)21(28-14(3)29)8-15-6-18(25)11-19(26)7-15/h4-7,9,11,13,21,23-24,27,31H,8,10,12H2,1-3H3,(H,28,29)
InChIKeyUMUKWUJRBWTHPM-UHFFFAOYSA-N
MW430.50 g/mol
LogP2.95
Rot. Bonds8

About N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide

N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide (PubChem CID 68537082) has the molecular formula C24H28F2N2O3 and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide
PubChem CID68537082
Molecular FormulaC24H28F2N2O3
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC NameN-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide
SMILESCC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1C(=O)Cc2ccc(C(C)C)cc21
InChIInChI=1S/C24H28F2N2O3/c1-13(2)16-4-5-17-10-22(30)24(20(17)9-16)27-12-23(31)21(28-14(3)29)8-15-6-18(25)11-19(26)7-15/h4-7,9,11,13,21,23-24,27,31H,8,10,12H2,1-3H3,(H,28,29)
InChIKeyUMUKWUJRBWTHPM-UHFFFAOYSA-N
XLogP2.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-yl]acetamide
CID 68667937
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]acetamide
CID 68536936
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1S)-7-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]acetamide
CID 68668407
[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]amino]butan-2-yl]carbamic acid
CID 68534329
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(5R)-3-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 68538482
N-[(2S,3R)-4-[[(1S)-7-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 73356673
N-[(3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]acetamide
CID 10341947
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-propan-2-ylphenyl)cyclohexyl]amino]butan-2-yl]acetamide
CID 68539303
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(1S)-7-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 68536310
methyl (2R)-3-[(4S)-4-[[(2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-3,4-dihydro-2H-chromen-6-yl]-2-methylpropanoate
CID 150555067
N-[4-[(7-butyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 11503190
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-propan-2-ylphenyl)cyclohexyl]amino]butan-2-yl]acetamide;hydrochloride
CID 68539302

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide (CID 68537082) is N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide is CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1C(=O)Cc2ccc(C(C)C)cc21.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide?
The InChIKey is UMUKWUJRBWTHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O3/c1-13(2)16-4-5-17-10-22(30)24(20(17)9-16)27-12-23(31)21(28-14(3)29)8-15-6-18(25)11-19(26)7-15/h4-7,9,11,13,21,23-24,27,31H,8,10,12H2,1-3H3,(H,28,29).
What are the key properties of N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide?
N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide has a molecular weight of 430.50 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(2-oxo-6-propan-2-yl-1,3-dihydroinden-1-yl)amino]butan-2-yl]acetamide is sourced from PubChem (CID 68537082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).