5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide

C26H19Br3N2O4 — CID 175557226

IUPAC5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O.O=C(Nc1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C13H9Br2NO2.C13H10BrNO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17;14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-7,17H,(H,16,18);1-8,16H,(H,15,17)
InChIKeyBDJXTGMOXCRFKV-UHFFFAOYSA-N
MW663.16 g/mol
LogP7.58
Rot. Bonds4

About 5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide

5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide (PubChem CID 175557226) has the molecular formula C26H19Br3N2O4 and a molecular weight of 663.16 g/mol. Its IUPAC name is 5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
PubChem CID175557226
Molecular FormulaC26H19Br3N2O4
Molecular Weight663.16 g/mol
Exact Mass659.89
IUPAC Name5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O.O=C(Nc1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C13H9Br2NO2.C13H10BrNO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17;14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-7,17H,(H,16,18);1-8,16H,(H,15,17)
InChIKeyBDJXTGMOXCRFKV-UHFFFAOYSA-N
XLogP7.58
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.16
LogP ≤ 57.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 5254471
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 107729404
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
2-anilino-5-bromo-N-phenylbenzamide
CID 23094060
3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729450
5-bromo-N-(4-bromo-3-methylphenyl)-2-hydroxybenzamide
CID 103602071
1-[(5-bromo-2-hydroxybenzoyl)amino]-3-(4-bromophenyl)thiourea
CID 143729295
5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107729682
2-hydroxy-N-phenylbenzamide
CID 157209959
3,5-dibromo-2-hydroxy-N-phenylbenzamide
CID 17404
2-hydroxy-N-phenylbenzamide chloride
CID 19021936

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide?
The IUPAC name of 5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide (CID 175557226) is 5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide.
What is the SMILES notation for 5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide?
The canonical SMILES for 5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide is O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O.O=C(Nc1ccccc1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide?
The InChIKey is BDJXTGMOXCRFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO2.C13H10BrNO2/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17;14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-7,17H,(H,16,18);1-8,16H,(H,15,17).
What are the key properties of 5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide?
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide has a molecular weight of 663.16 g/mol, XLogP of 7.58, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide is sourced from PubChem (CID 175557226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).