N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide

C24H22N2O2 — CID 101034287

IUPACN-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide
SMILESCc1ccc([C@H]2N(c3ccccc3)C(=O)[C@]2(C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O2/c1-17-13-15-18(16-14-17)21-24(2,25-22(27)19-9-5-3-6-10-19)23(28)26(21)20-11-7-4-8-12-20/h3-16,21H,1-2H3,(H,25,27)/t21-,24-/m1/s1
InChIKeyWGDAWPTYUXNODG-ZJSXRUAMSA-N
MW370.45 g/mol
LogP4.27
Rot. Bonds4

About N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide

N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide (PubChem CID 101034287) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide
PubChem CID101034287
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide
SMILESCc1ccc([C@H]2N(c3ccccc3)C(=O)[C@]2(C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O2/c1-17-13-15-18(16-14-17)21-24(2,25-22(27)19-9-5-3-6-10-19)23(28)26(21)20-11-7-4-8-12-20/h3-16,21H,1-2H3,(H,25,27)/t21-,24-/m1/s1
InChIKeyWGDAWPTYUXNODG-ZJSXRUAMSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide
CID 11003531
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
1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one
CID 156769473
N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2043412
(4S)-4-(2-hydroxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one
CID 714178
5-(4-methylphenyl)-1-phenylimidazolidine-2,4-dione
CID 23244322
methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 102070722
4-(4-methylphenyl)-1-phenylazetidine-2,3-dione
CID 14084640
N-[4-(4-methylphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 144706078
N-[(4R)-4-(dichloromethyl)-2-(4-methylphenyl)-5-oxo-1H-imidazol-4-yl]benzamide
CID 98209179
(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one
CID 15419094
(2S,3R)-3-benzhydryl-1-(4-methylphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylic acid
CID 27046989

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide?
The IUPAC name of N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide (CID 101034287) is N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide.
What is the SMILES notation for N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide?
The canonical SMILES for N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide is Cc1ccc([C@H]2N(c3ccccc3)C(=O)[C@]2(C)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide?
The InChIKey is WGDAWPTYUXNODG-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-17-13-15-18(16-14-17)21-24(2,25-22(27)19-9-5-3-6-10-19)23(28)26(21)20-11-7-4-8-12-20/h3-16,21H,1-2H3,(H,25,27)/t21-,24-/m1/s1.
What are the key properties of N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide?
N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-3-methyl-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]benzamide is sourced from PubChem (CID 101034287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).