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

C30H32F2N2O2 — CID 10074316

IUPACN-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1c2ccccc2-c2ccc(C3CCCC3)cc21
InChIInChI=1S/C30H32F2N2O2/c1-18(35)34-28(14-19-12-22(31)16-23(32)13-19)29(36)17-33-30-26-9-5-4-8-24(26)25-11-10-21(15-27(25)30)20-6-2-3-7-20/h4-5,8-13,15-16,20,28-30,33,36H,2-3,6-7,14,17H2,1H3,(H,34,35)/t28-,29+,30?/m0/s1
InChIKeyPFJLYZNCFPBDNU-UOCPRXARSA-N
MW490.59 g/mol
LogP5.39
Rot. Bonds8

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

N-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide (PubChem CID 10074316) has the molecular formula C30H32F2N2O2 and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
PubChem CID10074316
Molecular FormulaC30H32F2N2O2
Molecular Weight490.59 g/mol
Exact Mass490.24
IUPAC NameN-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1c2ccccc2-c2ccc(C3CCCC3)cc21
InChIInChI=1S/C30H32F2N2O2/c1-18(35)34-28(14-19-12-22(31)16-23(32)13-19)29(36)17-33-30-26-9-5-4-8-24(26)25-11-10-21(15-27(25)30)20-6-2-3-7-20/h4-5,8-13,15-16,20,28-30,33,36H,2-3,6-7,14,17H2,1H3,(H,34,35)/t28-,29+,30?/m0/s1
InChIKeyPFJLYZNCFPBDNU-UOCPRXARSA-N
XLogP5.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.59
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide (CID 10074316) is N-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide is CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1c2ccccc2-c2ccc(C3CCCC3)cc21.
What is the InChIKey of N-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide?
The InChIKey is PFJLYZNCFPBDNU-UOCPRXARSA-N. The full InChI is InChI=1S/C30H32F2N2O2/c1-18(35)34-28(14-19-12-22(31)16-23(32)13-19)29(36)17-33-30-26-9-5-4-8-24(26)25-11-10-21(15-27(25)30)20-6-2-3-7-20/h4-5,8-13,15-16,20,28-30,33,36H,2-3,6-7,14,17H2,1H3,(H,34,35)/t28-,29+,30?/m0/s1.
What are the key properties of N-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide?
N-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide has a molecular weight of 490.59 g/mol, XLogP of 5.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4-[(2-cyclopentyl-9H-fluoren-9-yl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 10074316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).