N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide

C14H11BrN2O2 — CID 2695972

IUPACN-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
SMILESO=C(NN=Cc1cccc(Br)c1)c1cccc(O)c1
InChIInChI=1S/C14H11BrN2O2/c15-12-5-1-3-10(7-12)9-16-17-14(19)11-4-2-6-13(18)8-11/h1-9,18H,(H,17,19)
InChIKeyWGVKGPOLHVJRRO-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.92
Rot. Bonds3

About N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide

N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide (PubChem CID 2695972) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
PubChem CID2695972
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC NameN-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
SMILESO=C(NN=Cc1cccc(Br)c1)c1cccc(O)c1
InChIInChI=1S/C14H11BrN2O2/c15-12-5-1-3-10(7-12)9-16-17-14(19)11-4-2-6-13(18)8-11/h1-9,18H,(H,17,19)
InChIKeyWGVKGPOLHVJRRO-UHFFFAOYSA-N
XLogP2.92
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.92
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'}

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Related Compounds

N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
CID 5332626
3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide
CID 71951581
4-amino-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 42995119
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6911445
4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 19578867
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137080354
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510
N-[(Z)-(3-bromophenyl)methylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522965
3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 2828054

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide (CID 2695972) is N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide is O=C(NN=Cc1cccc(Br)c1)c1cccc(O)c1.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide?
The InChIKey is WGVKGPOLHVJRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-12-5-1-3-10(7-12)9-16-17-14(19)11-4-2-6-13(18)8-11/h1-9,18H,(H,17,19).
What are the key properties of N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide?
N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide has a molecular weight of 319.16 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 2695972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).