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

C18H14N2O3 — CID 135458654

IUPAC2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1O
InChIInChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11+
InChIKeyZZSJOLDICPVVAV-YBFXNURJSA-N
MW306.32 g/mol
LogP3.01
Rot. Bonds3

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

2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 135458654) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID135458654
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1O
InChIInChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11+
InChIKeyZZSJOLDICPVVAV-YBFXNURJSA-N
XLogP3.01
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Chel 180
CID 135445765
3-Hydroxy-2-naphthoic acid hydrazide
CID 72699
Dynasore
CID 135533054
4-chloro-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide
CID 135497917
(2-Hydroxybenzylidene)salicylohydrazide
CID 135484660
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
3-Hydroxy-2-naphthalenecarboxamide
CID 19317
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 135458654) is 2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is ZZSJOLDICPVVAV-YBFXNURJSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)18(23)20-19-11-15-13-6-2-1-5-12(13)9-10-17(15)22/h1-11,21-22H,(H,20,23)/b19-11+.
What are the key properties of 2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 306.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 135458654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).