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

C18H14N2O3 — CID 135400287

IUPAC4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C18H14N2O3/c21-14-8-5-13(6-9-14)18(23)20-19-11-16-15-4-2-1-3-12(15)7-10-17(16)22/h1-11,21-22H,(H,20,23)/b19-11-
InChIKeyBBWITAIHTBXEMO-ODLFYWEKSA-N
MW306.32 g/mol
LogP3.01
Rot. Bonds3

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

4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 135400287) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID135400287
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C18H14N2O3/c21-14-8-5-13(6-9-14)18(23)20-19-11-16-15-4-2-1-3-12(15)7-10-17(16)22/h1-11,21-22H,(H,20,23)/b19-11-
InChIKeyBBWITAIHTBXEMO-ODLFYWEKSA-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

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
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-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
2,4-dihydroxy-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135688483
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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 135400287) is 4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is BBWITAIHTBXEMO-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-14-8-5-13(6-9-14)18(23)20-19-11-16-15-4-2-1-3-12(15)7-10-17(16)22/h1-11,21-22H,(H,20,23)/b19-11-.
What are the key properties of 4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?
4-hydroxy-N-[(Z)-(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 4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 135400287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).