N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide

C24H18N2O2 — CID 71467467

IUPACN-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide
SMILESO=C(N/N=C/c1cccc2ccccc12)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H18N2O2/c27-24(19-10-7-14-22(16-19)28-21-12-2-1-3-13-21)26-25-17-20-11-6-9-18-8-4-5-15-23(18)20/h1-17H,(H,26,27)/b25-17+
InChIKeyXOOBQLOBLOZAOL-KOEQRZSOSA-N
MW366.42 g/mol
LogP5.40
Rot. Bonds5

About N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide

N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide (PubChem CID 71467467) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide
PubChem CID71467467
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC NameN-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide
SMILESO=C(N/N=C/c1cccc2ccccc12)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H18N2O2/c27-24(19-10-7-14-22(16-19)28-21-12-2-1-3-13-21)26-25-17-20-11-6-9-18-8-4-5-15-23(18)20/h1-17H,(H,26,27)/b25-17+
InChIKeyXOOBQLOBLOZAOL-KOEQRZSOSA-N
XLogP5.40
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
N-(naphthalen-1-ylmethylideneamino)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5056514
3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 59091698
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
CID 137167158
N-[(E)-(3,5-difluoro-4-hydroxyphenyl)methylideneamino]-3-phenoxybenzamide
CID 135923638
N-[(E)-(7-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 137290368
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
1-N,3-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]-5-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenoxy]benzene-1,3-dicarboxamide
CID 177388501

Frequently Asked Questions

What is the IUPAC name of N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide?
The IUPAC name of N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide (CID 71467467) is N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide.
What is the SMILES notation for N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide?
The canonical SMILES for N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide is O=C(N/N=C/c1cccc2ccccc12)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide?
The InChIKey is XOOBQLOBLOZAOL-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H18N2O2/c27-24(19-10-7-14-22(16-19)28-21-12-2-1-3-13-21)26-25-17-20-11-6-9-18-8-4-5-15-23(18)20/h1-17H,(H,26,27)/b25-17+.
What are the key properties of N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide?
N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide has a molecular weight of 366.42 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-naphthalen-1-ylmethylideneamino]-3-phenoxybenzamide is sourced from PubChem (CID 71467467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).