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

C18H14N2O3 — CID 136600464

IUPACN-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
SMILESO=C(c1ccccc1)N(O)N=Cc1ccc2ccccc2c1O
InChIInChI=1S/C18H14N2O3/c21-17-15(11-10-13-6-4-5-9-16(13)17)12-19-20(23)18(22)14-7-2-1-3-8-14/h1-12,21,23H
InChIKeyNVPZPVLVUUACBP-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.41
Rot. Bonds3

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

N-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide (PubChem CID 136600464) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
PubChem CID136600464
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
SMILESO=C(c1ccccc1)N(O)N=Cc1ccc2ccccc2c1O
InChIInChI=1S/C18H14N2O3/c21-17-15(11-10-13-6-4-5-9-16(13)17)12-19-20(23)18(22)14-7-2-1-3-8-14/h1-12,21,23H
InChIKeyNVPZPVLVUUACBP-UHFFFAOYSA-N
XLogP3.41
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide?
The IUPAC name of N-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide (CID 136600464) is N-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for N-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide?
The canonical SMILES for N-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide is O=C(c1ccccc1)N(O)N=Cc1ccc2ccccc2c1O.
What is the InChIKey of N-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide?
The InChIKey is NVPZPVLVUUACBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-17-15(11-10-13-6-4-5-9-16(13)17)12-19-20(23)18(22)14-7-2-1-3-8-14/h1-12,21,23H.
What are the key properties of N-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide?
N-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide has a molecular weight of 306.32 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 136600464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).