2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide

C25H20N2O4 — CID 136997463

IUPAC2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1N(/N=C/c1ccc2ccccc2c1O)C(=O)c1ccccc1O
InChIInChI=1S/C25H20N2O4/c1-31-23-13-7-5-11-21(23)27(25(30)20-10-4-6-12-22(20)28)26-16-18-15-14-17-8-2-3-9-19(17)24(18)29/h2-16,28-29H,1H3/b26-16+
InChIKeyPNOICDNRETURSP-WGOQTCKBSA-N
MW412.45 g/mol
LogP4.94
Rot. Bonds5

About 2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide

2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide (PubChem CID 136997463) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide
PubChem CID136997463
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC Name2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1N(/N=C/c1ccc2ccccc2c1O)C(=O)c1ccccc1O
InChIInChI=1S/C25H20N2O4/c1-31-23-13-7-5-11-21(23)27(25(30)20-10-4-6-12-22(20)28)26-16-18-15-14-17-8-2-3-9-19(17)24(18)29/h2-16,28-29H,1H3/b26-16+
InChIKeyPNOICDNRETURSP-WGOQTCKBSA-N
XLogP4.94
TPSA82.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.94
H-Bond Donors ≤ 52
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

N-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 136600464
1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 3617184
1-(2,3-dimethoxyphenyl)-3-(1-hydroxynaphthalen-2-yl)propane-1,3-dione
CID 141317727
N-(1-cyclopropylethyl)-2-hydroxy-N-(2-methoxyphenyl)benzamide
CID 4963037
1-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135959919
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
methyl 2-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate
CID 19877638
3,4,5-trihydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4626466
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide
CID 4252787
tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate
CID 136898949
2-[[1-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-methoxyphenol
CID 135858781
1-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 136742494

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide (CID 136997463) is 2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1N(/N=C/c1ccc2ccccc2c1O)C(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is PNOICDNRETURSP-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-31-23-13-7-5-11-21(23)27(25(30)20-10-4-6-12-22(20)28)26-16-18-15-14-17-8-2-3-9-19(17)24(18)29/h2-16,28-29H,1H3/b26-16+.
What are the key properties of 2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide?
2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 412.45 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 136997463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).