N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C29H24Cl2N2O4 — CID 98103649

IUPACN-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCOc1cccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C29H24Cl2N2O4/c1-36-26-14-8-9-20(27(26)37-19-21-15-16-24(30)17-25(21)31)18-32-33-28(34)29(35,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-18,35H,19H2,1H3,(H,33,34)/b32-18-
InChIKeyXSWALEYHEMPCSB-CAQPMQTCSA-N
MW535.43 g/mol
LogP5.97
Rot. Bonds9

About N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 98103649) has the molecular formula C29H24Cl2N2O4 and a molecular weight of 535.43 g/mol. Its IUPAC name is N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID98103649
Molecular FormulaC29H24Cl2N2O4
Molecular Weight535.43 g/mol
Exact Mass534.11
IUPAC NameN-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESCOc1cccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C29H24Cl2N2O4/c1-36-26-14-8-9-20(27(26)37-19-21-15-16-24(30)17-25(21)31)18-32-33-28(34)29(35,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-18,35H,19H2,1H3,(H,33,34)/b32-18-
InChIKeyXSWALEYHEMPCSB-CAQPMQTCSA-N
XLogP5.97
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.43
LogP ≤ 55.97
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

4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 51061972
[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532739
[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168532736
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126040621
3-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 20993958
2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136663459
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592321
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 110525301
4-[[2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126190416
2-cyano-3-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 20986379
2-hydroxy-2,2-diphenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3486286
N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 124543066

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 98103649) is N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is COc1cccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is XSWALEYHEMPCSB-CAQPMQTCSA-N. The full InChI is InChI=1S/C29H24Cl2N2O4/c1-36-26-14-8-9-20(27(26)37-19-21-15-16-24(30)17-25(21)31)18-32-33-28(34)29(35,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-18,35H,19H2,1H3,(H,33,34)/b32-18-.
What are the key properties of N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 535.43 g/mol, XLogP of 5.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 98103649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).