benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate

C26H25ClN2O3 — CID 10906455

IUPACbenzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)[C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN2O3/c1-18(28-26(31)32-17-20-10-6-3-7-11-20)23-24(21-12-14-22(27)15-13-21)29(25(23)30)16-19-8-4-2-5-9-19/h2-15,18,23-24H,16-17H2,1H3,(H,28,31)/t18-,23-,24-/m0/s1
InChIKeyYQHOYTPFGHMZQL-NWVWQQAFSA-N
MW448.95 g/mol
LogP5.35
Rot. Bonds7

About benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate

benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate (PubChem CID 10906455) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate
PubChem CID10906455
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC Namebenzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)[C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN2O3/c1-18(28-26(31)32-17-20-10-6-3-7-11-20)23-24(21-12-14-22(27)15-13-21)29(25(23)30)16-19-8-4-2-5-9-19/h2-15,18,23-24H,16-17H2,1H3,(H,28,31)/t18-,23-,24-/m0/s1
InChIKeyYQHOYTPFGHMZQL-NWVWQQAFSA-N
XLogP5.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate with MolForge

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Related Compounds

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CID 4866646
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CID 102237512
benzyl N-[(1R)-1-[(3R,4S)-1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenylazetidin-3-yl]-2,2-dimethylpropyl]carbamate
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benzyl N-[(1S)-1-[(3R,4S)-1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenylazetidin-3-yl]-2,2-dimethylpropyl]carbamate
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benzyl N-[(1S)-1-[(2S,3R)-1-benzyl-2-(furan-2-yl)-4-oxoazetidin-3-yl]-2-methylpropyl]carbamate
CID 10884533
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benzyl N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamate
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benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate
CID 166438404
benzyl N-[(1R)-1-(4-chlorophenoxy)-1-hydroxypropan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate (CID 10906455) is benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate is C[C@H](NC(=O)OCc1ccccc1)[C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate?
The InChIKey is YQHOYTPFGHMZQL-NWVWQQAFSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c1-18(28-26(31)32-17-20-10-6-3-7-11-20)23-24(21-12-14-22(27)15-13-21)29(25(23)30)16-19-8-4-2-5-9-19/h2-15,18,23-24H,16-17H2,1H3,(H,28,31)/t18-,23-,24-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate?
benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate has a molecular weight of 448.95 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-[(2R,3S)-1-benzyl-2-(4-chlorophenyl)-4-oxoazetidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 10906455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).