(2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide

C24H23ClN2O4 — CID 126367955

IUPAC(2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESCCOc1cc(/C=N\NC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C24H23ClN2O4/c1-2-30-22-14-17(12-13-21(22)31-16-19-10-6-7-11-20(19)25)15-26-27-24(29)23(28)18-8-4-3-5-9-18/h3-15,23,28H,2,16H2,1H3,(H,27,29)/b26-15-/t23-/m1/s1
InChIKeyTTXQFAHNNZRHAT-GGIMQYPNSA-N
MW438.91 g/mol
LogP4.50
Rot. Bonds9

About (2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide

(2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 126367955) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is (2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID126367955
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC Name(2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESCCOc1cc(/C=N\NC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C24H23ClN2O4/c1-2-30-22-14-17(12-13-21(22)31-16-19-10-6-7-11-20(19)25)15-26-27-24(29)23(28)18-8-4-3-5-9-18/h3-15,23,28H,2,16H2,1H3,(H,27,29)/b26-15-/t23-/m1/s1
InChIKeyTTXQFAHNNZRHAT-GGIMQYPNSA-N
XLogP4.50
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 98531368
(2S)-N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 137138694
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-propoxybenzamide
CID 133169477
4-chloro-N-[1-[2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3881547
N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]oxamide
CID 19658767
(2S)-N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126273340
(2S)-N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126152687
2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110509220
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 96867311
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
N-(3-chloro-4-methylphenyl)-N'-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3608430

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide (CID 126367955) is (2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide is CCOc1cc(/C=N\NC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl.
What is the InChIKey of (2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is TTXQFAHNNZRHAT-GGIMQYPNSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-2-30-22-14-17(12-13-21(22)31-16-19-10-6-7-11-20(19)25)15-26-27-24(29)23(28)18-8-4-3-5-9-18/h3-15,23,28H,2,16H2,1H3,(H,27,29)/b26-15-/t23-/m1/s1.
What are the key properties of (2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide?
(2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 438.91 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 126367955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).