N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C26H21ClN2O4 — CID 6092862

IUPACN-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2cc3ccccc3cc2O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C26H21ClN2O4/c1-32-25-12-18(8-11-24(25)33-16-17-6-9-21(27)10-7-17)15-28-29-26(31)22-13-19-4-2-3-5-20(19)14-23(22)30/h2-15,30H,16H2,1H3,(H,29,31)/b28-15-
InChIKeyJTWHZCJPTYNZDD-MBTHVWNTSA-N
MW460.92 g/mol
LogP5.55
Rot. Bonds7

About N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 6092862) has the molecular formula C26H21ClN2O4 and a molecular weight of 460.92 g/mol. Its IUPAC name is N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID6092862
Molecular FormulaC26H21ClN2O4
Molecular Weight460.92 g/mol
Exact Mass460.12
IUPAC NameN-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2cc3ccccc3cc2O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C26H21ClN2O4/c1-32-25-12-18(8-11-24(25)33-16-17-6-9-21(27)10-7-17)15-28-29-26(31)22-13-19-4-2-3-5-20(19)14-23(22)30/h2-15,30H,16H2,1H3,(H,29,31)/b28-15-
InChIKeyJTWHZCJPTYNZDD-MBTHVWNTSA-N
XLogP5.55
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.92
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', '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

3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
2-[(4-chlorophenyl)methoxy]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 4582846
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3623673
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
N-[[3-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4002606
2-hydroxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6291203
2,5-dihydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 17126913
2-amino-N-[(E)-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzamide
CID 110341609
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 6031125
N-[[3-chloro-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3893068
[4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 1009993
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 1001655

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 6092862) is N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is COc1cc(/C=N\NC(=O)c2cc3ccccc3cc2O)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is JTWHZCJPTYNZDD-MBTHVWNTSA-N. The full InChI is InChI=1S/C26H21ClN2O4/c1-32-25-12-18(8-11-24(25)33-16-17-6-9-21(27)10-7-17)15-28-29-26(31)22-13-19-4-2-3-5-20(19)14-23(22)30/h2-15,30H,16H2,1H3,(H,29,31)/b28-15-.
What are the key properties of N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 460.92 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 6092862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).