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

C18H14N2O2 — CID 135400301

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-19-20-18(22)14-7-2-1-3-8-14/h1-12,21H,(H,20,22)/b19-12+
InChIKeyQQUWFXMXRVAVCX-XDHOZWIPSA-N
MW290.32 g/mol
LogP3.31
Rot. Bonds3

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

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 135400301) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID135400301
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-19-20-18(22)14-7-2-1-3-8-14/h1-12,21H,(H,20,22)/b19-12+
InChIKeyQQUWFXMXRVAVCX-XDHOZWIPSA-N
XLogP3.31
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.31
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

3-Hydroxy-2-naphthoic acid hydrazide
CID 72699
(E)-3,4-Dihydroxy-N'-((2-methoxynaphthalen-1-YL)methylene)benzohydrazide
CID 9562794
Dynasore
CID 135533054
4-chloro-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
CID 135497917
4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
Dyngo-4a
CID 136227923
N'-cyclohexylidene-3-hydroxynaphthalene-2-carbohydrazide
CID 795531
2-Hydroxy-N'-[(E)-(3-hydroxyphenyl)methylidene]benzohydrazide
CID 6893640
N'-(2-hydroxybenzoyl)naphthalene-1-carbohydrazide
CID 22613412
2-Hydroxy-1-naphthalaldehyde salicyloylhydrazone
CID 135458654
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 135400301) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is QQUWFXMXRVAVCX-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17-11-10-13-6-4-5-9-15(13)16(17)12-19-20-18(22)14-7-2-1-3-8-14/h1-12,21H,(H,20,22)/b19-12+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 290.32 g/mol, XLogP of 3.31, 3 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]benzamide is sourced from PubChem (CID 135400301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).