N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide

C25H24N2O2 — CID 11003531

IUPACN-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide
SMILESCC(C)[C@]1(NC(=O)c2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-18(2)25(26-23(28)20-14-8-4-9-15-20)22(19-12-6-3-7-13-19)27(24(25)29)21-16-10-5-11-17-21/h3-18,22H,1-2H3,(H,26,28)/t22-,25-/m1/s1
InChIKeyZVOBDEFZNDFFLX-RCZVLFRGSA-N
MW384.48 g/mol
LogP4.60
Rot. Bonds5

About N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide

N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide (PubChem CID 11003531) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide
PubChem CID11003531
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide
SMILESCC(C)[C@]1(NC(=O)c2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-18(2)25(26-23(28)20-14-8-4-9-15-20)22(19-12-6-3-7-13-19)27(24(25)29)21-16-10-5-11-17-21/h3-18,22H,1-2H3,(H,26,28)/t22-,25-/m1/s1
InChIKeyZVOBDEFZNDFFLX-RCZVLFRGSA-N
XLogP4.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one
CID 15419094
N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide
CID 101034287
methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 102070722
methyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 57225843
1,4-diphenyl-3,3-dipropylazetidin-2-one
CID 70304268
methyl 2-oxo-1,4-diphenyl-3-(1,2,2-trichloroethenyl)azetidine-3-carboxylate
CID 134919381
3-acetyl-1,4-diphenylazetidin-2-one
CID 12575792
methyl (1S,4R,5R,6S,7R)-4-benzamido-4-methyl-3-oxo-2,5-diphenyl-2-azabicyclo[4.1.0]heptane-7-carboxylate
CID 101340671
(4S)-4-(2-hydroxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one
CID 714178
methyl 2-[1-(4-methoxyphenyl)-2-oxo-4-phenyl-3-phenylsulfanylazetidin-3-yl]propanoate
CID 24970409
tert-butyl 3-chloro-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 602670
(3R,4S)-3-ethenyl-3-(2-hydroxypropan-2-yl)-1,4-diphenylazetidin-2-one
CID 101377404

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide?
The IUPAC name of N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide (CID 11003531) is N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide.
What is the SMILES notation for N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide?
The canonical SMILES for N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide is CC(C)[C@]1(NC(=O)c2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide?
The InChIKey is ZVOBDEFZNDFFLX-RCZVLFRGSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-18(2)25(26-23(28)20-14-8-4-9-15-20)22(19-12-6-3-7-13-19)27(24(25)29)21-16-10-5-11-17-21/h3-18,22H,1-2H3,(H,26,28)/t22-,25-/m1/s1.
What are the key properties of N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide?
N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide is sourced from PubChem (CID 11003531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).