4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide

C26H24ClN3O5 — CID 1276915

IUPAC4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide
SMILESCCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](Oc2ccccc2)[C@H]1c1ccccc1Cl
InChIInChI=1S/C26H24ClN3O5/c1-3-34-22-15-17(28-16(2)31)13-14-20(22)25(32)29-30-23(19-11-7-8-12-21(19)27)24(26(30)33)35-18-9-5-4-6-10-18/h4-15,23-24H,3H2,1-2H3,(H,28,31)(H,29,32)/t23-,24+/m1/s1
InChIKeyUDYCHZQXYDFQRO-RPWUZVMVSA-N
MW493.95 g/mol
LogP4.37
Rot. Bonds8

About 4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide

4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide (PubChem CID 1276915) has the molecular formula C26H24ClN3O5 and a molecular weight of 493.95 g/mol. Its IUPAC name is 4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide
PubChem CID1276915
Molecular FormulaC26H24ClN3O5
Molecular Weight493.95 g/mol
Exact Mass493.14
IUPAC Name4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide
SMILESCCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](Oc2ccccc2)[C@H]1c1ccccc1Cl
InChIInChI=1S/C26H24ClN3O5/c1-3-34-22-15-17(28-16(2)31)13-14-20(22)25(32)29-30-23(19-11-7-8-12-21(19)27)24(26(30)33)35-18-9-5-4-6-10-18/h4-15,23-24H,3H2,1-2H3,(H,28,31)(H,29,32)/t23-,24+/m1/s1
InChIKeyUDYCHZQXYDFQRO-RPWUZVMVSA-N
XLogP4.37
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.95
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide
CID 3340394
4-acetamido-N-[(2R,3R)-3-chloro-2-(4-methylphenyl)-4-oxoazetidin-1-yl]-2-ethoxybenzamide
CID 9430179
4-acetamido-N-[(2S,5R)-2-(4-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-ethoxybenzamide
CID 1276847
4-acetamido-2-ethoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 1274278
4-chloro-2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 17362963
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
2-chloro-N-[(3-ethoxy-4-phenylphenyl)carbamothioyl]benzamide
CID 134110313
4-acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide
CID 5472082
4-acetamido-N-(1-benzylpiperidin-4-yl)-2-phenylmethoxybenzamide
CID 154225250
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-ethoxynaphthalene-2-carboxamide
CID 24505780

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide?
The IUPAC name of 4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide (CID 1276915) is 4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide.
What is the SMILES notation for 4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide?
The canonical SMILES for 4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide is CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](Oc2ccccc2)[C@H]1c1ccccc1Cl.
What is the InChIKey of 4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide?
The InChIKey is UDYCHZQXYDFQRO-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H24ClN3O5/c1-3-34-22-15-17(28-16(2)31)13-14-20(22)25(32)29-30-23(19-11-7-8-12-21(19)27)24(26(30)33)35-18-9-5-4-6-10-18/h4-15,23-24H,3H2,1-2H3,(H,28,31)(H,29,32)/t23-,24+/m1/s1.
What are the key properties of 4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide?
4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide has a molecular weight of 493.95 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(2R,3S)-2-(2-chlorophenyl)-4-oxo-3-phenoxyazetidin-1-yl]-2-ethoxybenzamide is sourced from PubChem (CID 1276915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).