5-bromo-N-but-2-ynyl-2-hydroxybenzamide

C11H10BrNO2 — CID 103871171

IUPAC5-bromo-N-but-2-ynyl-2-hydroxybenzamide
SMILESCC#CCNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H10BrNO2/c1-2-3-6-13-11(15)9-7-8(12)4-5-10(9)14/h4-5,7,14H,6H2,1H3,(H,13,15)
InChIKeyNFTFXDFQMAZFBX-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.91
Rot. Bonds2

About 5-bromo-N-but-2-ynyl-2-hydroxybenzamide

5-bromo-N-but-2-ynyl-2-hydroxybenzamide (PubChem CID 103871171) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 5-bromo-N-but-2-ynyl-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-but-2-ynyl-2-hydroxybenzamide
PubChem CID103871171
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name5-bromo-N-but-2-ynyl-2-hydroxybenzamide
SMILESCC#CCNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H10BrNO2/c1-2-3-6-13-11(15)9-7-8(12)4-5-10(9)14/h4-5,7,14H,6H2,1H3,(H,13,15)
InChIKeyNFTFXDFQMAZFBX-UHFFFAOYSA-N
XLogP1.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-ynyl-3,4-dihydroxybenzamide
CID 103957730
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
5-bromo-N-(2,2-dimethoxyethyl)-2-hydroxybenzamide
CID 103602044
N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
CID 107729215
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
3-[(5-bromo-2-hydroxybenzoyl)amino]propyl-dimethylazanium
CID 7188682
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
CID 107730482
5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
CID 107730547
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111662219

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-but-2-ynyl-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-but-2-ynyl-2-hydroxybenzamide (CID 103871171) is 5-bromo-N-but-2-ynyl-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-but-2-ynyl-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-but-2-ynyl-2-hydroxybenzamide is CC#CCNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-but-2-ynyl-2-hydroxybenzamide?
The InChIKey is NFTFXDFQMAZFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-2-3-6-13-11(15)9-7-8(12)4-5-10(9)14/h4-5,7,14H,6H2,1H3,(H,13,15).
What are the key properties of 5-bromo-N-but-2-ynyl-2-hydroxybenzamide?
5-bromo-N-but-2-ynyl-2-hydroxybenzamide has a molecular weight of 268.11 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-but-2-ynyl-2-hydroxybenzamide is sourced from PubChem (CID 103871171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).