N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide

C24H18N2O2 — CID 135472549

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H18N2O2/c27-23-15-14-19-8-4-5-9-21(19)22(23)16-25-26-24(28)20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-16,27H,(H,26,28)/b25-16+
InChIKeyRPMLCOMZPSDSGJ-PCLIKHOPSA-N
MW366.42 g/mol
LogP4.98
Rot. Bonds4

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide (PubChem CID 135472549) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
PubChem CID135472549
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H18N2O2/c27-23-15-14-19-8-4-5-9-21(19)22(23)16-25-26-24(28)20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-16,27H,(H,26,28)/b25-16+
InChIKeyRPMLCOMZPSDSGJ-PCLIKHOPSA-N
XLogP4.98
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938
4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 966653
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136737019
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136700625
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide
CID 146303494
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578967
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135837487
3-chloro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
CID 137122870

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide (CID 135472549) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide?
The InChIKey is RPMLCOMZPSDSGJ-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H18N2O2/c27-23-15-14-19-8-4-5-9-21(19)22(23)16-25-26-24(28)20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-16,27H,(H,26,28)/b25-16+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide has a molecular weight of 366.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 135472549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).