2-hydroxy-N-(2,3,4-tribromophenyl)benzamide

C13H8Br3NO2 — CID 140983819

IUPAC2-hydroxy-N-(2,3,4-tribromophenyl)benzamide
SMILESO=C(Nc1ccc(Br)c(Br)c1Br)c1ccccc1O
InChIInChI=1S/C13H8Br3NO2/c14-8-5-6-9(12(16)11(8)15)17-13(19)7-3-1-2-4-10(7)18/h1-6,18H,(H,17,19)
InChIKeyLDNXFURTCZOQOT-UHFFFAOYSA-N
MW449.92 g/mol
LogP4.93
Rot. Bonds2

About 2-hydroxy-N-(2,3,4-tribromophenyl)benzamide

2-hydroxy-N-(2,3,4-tribromophenyl)benzamide (PubChem CID 140983819) has the molecular formula C13H8Br3NO2 and a molecular weight of 449.92 g/mol. Its IUPAC name is 2-hydroxy-N-(2,3,4-tribromophenyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2,3,4-tribromophenyl)benzamide
PubChem CID140983819
Molecular FormulaC13H8Br3NO2
Molecular Weight449.92 g/mol
Exact Mass446.81
IUPAC Name2-hydroxy-N-(2,3,4-tribromophenyl)benzamide
SMILESO=C(Nc1ccc(Br)c(Br)c1Br)c1ccccc1O
InChIInChI=1S/C13H8Br3NO2/c14-8-5-6-9(12(16)11(8)15)17-13(19)7-3-1-2-4-10(7)18/h1-6,18H,(H,17,19)
InChIKeyLDNXFURTCZOQOT-UHFFFAOYSA-N
XLogP4.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-bromophenyl)-2-hydroxybenzamide
CID 79767428
N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
CID 103414718
2-hydroxy-N-phenylbenzamide
CID 157209959
N-(2-carbamothioylphenyl)-2-hydroxybenzamide
CID 24692803
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
3-amino-N-(2-bromophenyl)-2-hydroxybenzamide
CID 113386337
N,2-dihydroxybenzamide;ethane
CID 91440405
3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63117270
3-fluoro-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63190129
ethane;2-hydroxy-N-phenylbenzamide
CID 54170056

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2,3,4-tribromophenyl)benzamide?
The IUPAC name of 2-hydroxy-N-(2,3,4-tribromophenyl)benzamide (CID 140983819) is 2-hydroxy-N-(2,3,4-tribromophenyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(2,3,4-tribromophenyl)benzamide?
The canonical SMILES for 2-hydroxy-N-(2,3,4-tribromophenyl)benzamide is O=C(Nc1ccc(Br)c(Br)c1Br)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(2,3,4-tribromophenyl)benzamide?
The InChIKey is LDNXFURTCZOQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3NO2/c14-8-5-6-9(12(16)11(8)15)17-13(19)7-3-1-2-4-10(7)18/h1-6,18H,(H,17,19).
What are the key properties of 2-hydroxy-N-(2,3,4-tribromophenyl)benzamide?
2-hydroxy-N-(2,3,4-tribromophenyl)benzamide has a molecular weight of 449.92 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2,3,4-tribromophenyl)benzamide is sourced from PubChem (CID 140983819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).