N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide

C22H16N2O2 — CID 6016653

IUPACN-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
SMILESO=C(N/N=C\c1c2ccccc2cc2ccccc12)c1cccc(O)c1
InChIInChI=1S/C22H16N2O2/c25-18-9-5-8-17(13-18)22(26)24-23-14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14,25H,(H,24,26)/b23-14-
InChIKeyTUYOLDGZLXDLRJ-UCQKPKSFSA-N
MW340.38 g/mol
LogP4.46
Rot. Bonds3

About N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide

N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide (PubChem CID 6016653) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
PubChem CID6016653
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC NameN-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
SMILESO=C(N/N=C\c1c2ccccc2cc2ccccc12)c1cccc(O)c1
InChIInChI=1S/C22H16N2O2/c25-18-9-5-8-17(13-18)22(26)24-23-14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14,25H,(H,24,26)/b23-14-
InChIKeyTUYOLDGZLXDLRJ-UCQKPKSFSA-N
XLogP4.46
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide
CID 6139999
N-(anthracen-9-ylmethylideneamino)-3,4-dichlorobenzamide
CID 4524228
3-hydroxy-N-[(3-hydroxy-1-oxo-2H-isoquinolin-4-yl)methylideneamino]benzamide
CID 137098407
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135837487
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
3-amino-4-hydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 59091698
3-bromo-N-[(E)-(10-methylanthracen-9-yl)methylideneamino]benzamide
CID 126005055
3-acetamido-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135684551

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide (CID 6016653) is N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide is O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1cccc(O)c1.
What is the InChIKey of N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide?
The InChIKey is TUYOLDGZLXDLRJ-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-18-9-5-8-17(13-18)22(26)24-23-14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14,25H,(H,24,26)/b23-14-.
What are the key properties of N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide?
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide has a molecular weight of 340.38 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 6016653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).