N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C27H23ClN2O4 — CID 4297651

IUPACN-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)cc(Cl)c1OCc1cccc(C)c1
InChIInChI=1S/C27H23ClN2O4/c1-17-6-5-7-18(10-17)16-34-26-23(28)11-19(12-25(26)33-2)15-29-30-27(32)22-13-20-8-3-4-9-21(20)14-24(22)31/h3-15,31H,16H2,1-2H3,(H,30,32)
InChIKeyROHDNXOWABGMGY-UHFFFAOYSA-N
MW474.94 g/mol
LogP5.86
Rot. Bonds7

About N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 4297651) has the molecular formula C27H23ClN2O4 and a molecular weight of 474.94 g/mol. Its IUPAC name is N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID4297651
Molecular FormulaC27H23ClN2O4
Molecular Weight474.94 g/mol
Exact Mass474.13
IUPAC NameN-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cc3ccccc3cc2O)cc(Cl)c1OCc1cccc(C)c1
InChIInChI=1S/C27H23ClN2O4/c1-17-6-5-7-18(10-17)16-34-26-23(28)11-19(12-25(26)33-2)15-29-30-27(32)22-13-20-8-3-4-9-21(20)14-24(22)31/h3-15,31H,16H2,1-2H3,(H,30,32)
InChIKeyROHDNXOWABGMGY-UHFFFAOYSA-N
XLogP5.86
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.94
LogP ≤ 55.86
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

N-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5021305
N-[[3-chloro-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3893068
N-[[3-bromo-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4254365
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3279486
4-[[2-chloro-6-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 5243084
3-hydroxy-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6906540
4-chloro-N-[(Z)-[3-chloro-5-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126199234
N-[(Z)-[3,5-dichloro-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126016397
2-chloro-N-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3912707
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6092862
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378497
N-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3886425

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 4297651) is N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)cc(Cl)c1OCc1cccc(C)c1.
What is the InChIKey of N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is ROHDNXOWABGMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O4/c1-17-6-5-7-18(10-17)16-34-26-23(28)11-19(12-25(26)33-2)15-29-30-27(32)22-13-20-8-3-4-9-21(20)14-24(22)31/h3-15,31H,16H2,1-2H3,(H,30,32).
What are the key properties of N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 474.94 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 4297651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).