N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide

C22H15BrN2O2 — CID 71960210

IUPACN-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide
SMILESO=C(NN=Cc1c2ccccc2cc2ccccc12)c1cc(Br)ccc1O
InChIInChI=1S/C22H15BrN2O2/c23-16-9-10-21(26)19(12-16)22(27)25-24-13-20-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)20/h1-13,26H,(H,25,27)
InChIKeyQTAWQPUHYROUQL-UHFFFAOYSA-N
MW419.28 g/mol
LogP5.22
Rot. Bonds3

About N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide

N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide (PubChem CID 71960210) has the molecular formula C22H15BrN2O2 and a molecular weight of 419.28 g/mol. Its IUPAC name is N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide
PubChem CID71960210
Molecular FormulaC22H15BrN2O2
Molecular Weight419.28 g/mol
Exact Mass418.03
IUPAC NameN-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide
SMILESO=C(NN=Cc1c2ccccc2cc2ccccc12)c1cc(Br)ccc1O
InChIInChI=1S/C22H15BrN2O2/c23-16-9-10-21(26)19(12-16)22(27)25-24-13-20-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)20/h1-13,26H,(H,25,27)
InChIKeyQTAWQPUHYROUQL-UHFFFAOYSA-N
XLogP5.22
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.28
LogP ≤ 55.22
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

4-bromo-2-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136759632
5-bromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide
CID 137227559
5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 2246619
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-bromobenzoyl)amino]benzamide
CID 126002059
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136711415
5-bromo-N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 762173
N-(anthracen-9-ylmethylideneamino)-2-[(4-bromophenyl)methoxy]benzamide
CID 71960202
N-[(E)-anthracen-9-ylmethylideneamino]-2-pyrrol-1-ylbenzamide
CID 19659641
N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide?
The IUPAC name of N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide (CID 71960210) is N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide is O=C(NN=Cc1c2ccccc2cc2ccccc12)c1cc(Br)ccc1O.
What is the InChIKey of N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide?
The InChIKey is QTAWQPUHYROUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O2/c23-16-9-10-21(26)19(12-16)22(27)25-24-13-20-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)20/h1-13,26H,(H,25,27).
What are the key properties of N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide?
N-(anthracen-9-ylmethylideneamino)-5-bromo-2-hydroxybenzamide has a molecular weight of 419.28 g/mol, XLogP of 5.22, 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)-5-bromo-2-hydroxybenzamide is sourced from PubChem (CID 71960210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).