N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide

C29H32F2N2O2 — CID 10005291

IUPACN-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1c2ccccc2-c2ccc(CC(C)C)cc21
InChIInChI=1S/C29H32F2N2O2/c1-17(2)10-19-8-9-24-23-6-4-5-7-25(23)29(26(24)13-19)32-16-28(35)27(33-18(3)34)14-20-11-21(30)15-22(31)12-20/h4-9,11-13,15,17,27-29,32,35H,10,14,16H2,1-3H3,(H,33,34)/t27-,28+,29?/m0/s1
InChIKeyYSMRTNYTBPUFMQ-POZJPKTBSA-N
MW478.58 g/mol
LogP4.93
Rot. Bonds9

About N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide

N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide (PubChem CID 10005291) has the molecular formula C29H32F2N2O2 and a molecular weight of 478.58 g/mol. Its IUPAC name is N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide
PubChem CID10005291
Molecular FormulaC29H32F2N2O2
Molecular Weight478.58 g/mol
Exact Mass478.24
IUPAC NameN-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1c2ccccc2-c2ccc(CC(C)C)cc21
InChIInChI=1S/C29H32F2N2O2/c1-17(2)10-19-8-9-24-23-6-4-5-7-25(23)29(26(24)13-19)32-16-28(35)27(33-18(3)34)14-20-11-21(30)15-22(31)12-20/h4-9,11-13,15,17,27-29,32,35H,10,14,16H2,1-3H3,(H,33,34)/t27-,28+,29?/m0/s1
InChIKeyYSMRTNYTBPUFMQ-POZJPKTBSA-N
XLogP4.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide (CID 10005291) is N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide is CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1c2ccccc2-c2ccc(CC(C)C)cc21.
What is the InChIKey of N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide?
The InChIKey is YSMRTNYTBPUFMQ-POZJPKTBSA-N. The full InChI is InChI=1S/C29H32F2N2O2/c1-17(2)10-19-8-9-24-23-6-4-5-7-25(23)29(26(24)13-19)32-16-28(35)27(33-18(3)34)14-20-11-21(30)15-22(31)12-20/h4-9,11-13,15,17,27-29,32,35H,10,14,16H2,1-3H3,(H,33,34)/t27-,28+,29?/m0/s1.
What are the key properties of N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide?
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide has a molecular weight of 478.58 g/mol, XLogP of 4.93, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-(2-methylpropyl)-9H-fluoren-9-yl]amino]butan-2-yl]acetamide is sourced from PubChem (CID 10005291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).