N-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide

C32H28F2N2O3 — CID 69117286

IUPACN-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc([C@@]3(c4ccc(F)cc4)NC(=O)[C@@H]3CC[C@H](O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C32H28F2N2O3/c1-20(37)35-28-4-2-3-23(19-28)21-5-9-24(10-6-21)32(25-11-15-27(34)16-12-25)29(31(39)36-32)17-18-30(38)22-7-13-26(33)14-8-22/h2-16,19,29-30,38H,17-18H2,1H3,(H,35,37)(H,36,39)/t29-,30-,32-/m0/s1
InChIKeyMDYCKROPPJGEHU-GCRSFRQPSA-N
MW526.58 g/mol
LogP6.09
Rot. Bonds8

About N-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide

N-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide (PubChem CID 69117286) has the molecular formula C32H28F2N2O3 and a molecular weight of 526.58 g/mol. Its IUPAC name is N-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide
PubChem CID69117286
Molecular FormulaC32H28F2N2O3
Molecular Weight526.58 g/mol
Exact Mass526.21
IUPAC NameN-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc([C@@]3(c4ccc(F)cc4)NC(=O)[C@@H]3CC[C@H](O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C32H28F2N2O3/c1-20(37)35-28-4-2-3-23(19-28)21-5-9-24(10-6-21)32(25-11-15-27(34)16-12-25)29(31(39)36-32)17-18-30(38)22-7-13-26(33)14-8-22/h2-16,19,29-30,38H,17-18H2,1H3,(H,35,37)(H,36,39)/t29-,30-,32-/m0/s1
InChIKeyMDYCKROPPJGEHU-GCRSFRQPSA-N
XLogP6.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.58
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]acetamide
CID 71999869
(3R,4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(2-hydroxy-4-phenylphenyl)-1-phenylazetidin-2-one
CID 141160315
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
4-(3-acetamidophenyl)benzoate
CID 86306420
N-[3-[4-[(2S)-2-(methylamino)-3-oxobutyl]phenyl]phenyl]acetamide
CID 58904339
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
N-[3-[4-[cyclopropyloxy(1H-imidazol-5-yl)methyl]phenyl]phenyl]acetamide
CID 91494497
4-[3-[(4-fluorobenzoyl)amino]phenyl]-N-hydroxybenzamide
CID 10308934
N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide
CID 154687564
N-[3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55573151
(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide (CID 69117286) is N-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc([C@@]3(c4ccc(F)cc4)NC(=O)[C@@H]3CC[C@H](O)c3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide?
The InChIKey is MDYCKROPPJGEHU-GCRSFRQPSA-N. The full InChI is InChI=1S/C32H28F2N2O3/c1-20(37)35-28-4-2-3-23(19-28)21-5-9-24(10-6-21)32(25-11-15-27(34)16-12-25)29(31(39)36-32)17-18-30(38)22-7-13-26(33)14-8-22/h2-16,19,29-30,38H,17-18H2,1H3,(H,35,37)(H,36,39)/t29-,30-,32-/m0/s1.
What are the key properties of N-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide?
N-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide has a molecular weight of 526.58 g/mol, XLogP of 6.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2S,3R)-2-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenyl]phenyl]acetamide is sourced from PubChem (CID 69117286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).