2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

C22H18Cl2N2O4 — CID 136663459

IUPAC2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N\NC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C22H18Cl2N2O4/c1-30-19-4-2-3-14(20(19)27)13-25-26-21(28)22(29,15-5-9-17(23)10-6-15)16-7-11-18(24)12-8-16/h2-13,27,29H,1H3,(H,26,28)/b25-13-
InChIKeyZJHJDZYZZIXJMB-MXAYSNPKSA-N
MW445.30 g/mol
LogP4.09
Rot. Bonds6

About 2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 136663459) has the molecular formula C22H18Cl2N2O4 and a molecular weight of 445.30 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID136663459
Molecular FormulaC22H18Cl2N2O4
Molecular Weight445.30 g/mol
Exact Mass444.06
IUPAC Name2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N\NC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C22H18Cl2N2O4/c1-30-19-4-2-3-14(20(19)27)13-25-26-21(28)22(29,15-5-9-17(23)10-6-15)16-7-11-18(24)12-8-16/h2-13,27,29H,1H3,(H,26,28)/b25-13-
InChIKeyZJHJDZYZZIXJMB-MXAYSNPKSA-N
XLogP4.09
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-hydroxy-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 5044456
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
2-(4-chlorophenyl)sulfanyl-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1153906
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 98103649
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137031731
2-hydroxy-2,2-diphenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3486286
2-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135899617
4-acetamido-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749454

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (CID 136663459) is 2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is COc1cccc(/C=N\NC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1O.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is ZJHJDZYZZIXJMB-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H18Cl2N2O4/c1-30-19-4-2-3-14(20(19)27)13-25-26-21(28)22(29,15-5-9-17(23)10-6-15)16-7-11-18(24)12-8-16/h2-13,27,29H,1H3,(H,26,28)/b25-13-.
What are the key properties of 2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 445.30 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136663459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).