N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide

C22H16N2O2 — CID 702160

IUPACN-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
SMILESO=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C22H16N2O2/c25-18-11-9-15(10-12-18)22(26)24-23-14-21-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)21/h1-14,25H,(H,24,26)
InChIKeyGCLRZQQIFDWSQA-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.46
Rot. Bonds3

About N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide

N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide (PubChem CID 702160) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
PubChem CID702160
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC NameN-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
SMILESO=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C22H16N2O2/c25-18-11-9-15(10-12-18)22(26)24-23-14-21-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)21/h1-14,25H,(H,24,26)
InChIKeyGCLRZQQIFDWSQA-UHFFFAOYSA-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-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide
CID 6139999
N-(anthracen-9-ylmethylideneamino)-3,4-dichlorobenzamide
CID 4524228
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-bromobenzoyl)amino]benzamide
CID 126002059
N-[(Z)-anthracen-9-ylmethylideneamino]-4-[benzenesulfonyl(methyl)amino]benzamide
CID 28588387
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136737019
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
N-(anthracen-9-ylmethylideneamino)-4-chloro-3-nitrobenzamide
CID 3406553

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide?
The IUPAC name of N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide (CID 702160) is N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide.
What is the SMILES notation for N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide?
The canonical SMILES for N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide is O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccc(O)cc1.
What is the InChIKey of N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide?
The InChIKey is GCLRZQQIFDWSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-18-11-9-15(10-12-18)22(26)24-23-14-21-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)21/h1-14,25H,(H,24,26).
What are the key properties of N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide?
N-(anthracen-9-ylmethylideneamino)-4-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-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide is sourced from PubChem (CID 702160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).