N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide

C24H18N2O2 — CID 3850135

IUPACN-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide
SMILESO=C(Nc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C24H18N2O2/c27-23-15-10-17-6-4-5-9-21(17)22(23)16-25-19-11-13-20(14-12-19)26-24(28)18-7-2-1-3-8-18/h1-16,27H,(H,26,28)/b25-16+
InChIKeyKBJQPYODAQAUCX-PCLIKHOPSA-N
MW366.42 g/mol
LogP5.55
Rot. Bonds4

About N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide

N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide (PubChem CID 3850135) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide
PubChem CID3850135
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC NameN-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide
SMILESO=C(Nc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1
InChIInChI=1S/C24H18N2O2/c27-23-15-10-17-6-4-5-9-21(17)22(23)16-25-19-11-13-20(14-12-19)26-24(28)18-7-2-1-3-8-18/h1-16,27H,(H,26,28)/b25-16+
InChIKeyKBJQPYODAQAUCX-PCLIKHOPSA-N
XLogP5.55
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 966653
diethyl-[2-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoyl]amino]ethyl]azanium
CID 135750576
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
CID 540985
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
1-[(4-hydroxy-3,5-diphenylphenyl)iminomethyl]naphthalen-2-ol
CID 136702067
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]-3-[(4-nitrobenzoyl)amino]benzamide
CID 135567648
3-acetamido-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135684551
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 630306

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide?
The IUPAC name of N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide (CID 3850135) is N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide?
The canonical SMILES for N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide is O=C(Nc1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide?
The InChIKey is KBJQPYODAQAUCX-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H18N2O2/c27-23-15-10-17-6-4-5-9-21(17)22(23)16-25-19-11-13-20(14-12-19)26-24(28)18-7-2-1-3-8-18/h1-16,27H,(H,26,28)/b25-16+.
What are the key properties of N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide?
N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide has a molecular weight of 366.42 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide is sourced from PubChem (CID 3850135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).