2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide

C11H12N2O2 — CID 102739361

IUPAC2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide
SMILESC#CC(C)NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C11H12N2O2/c1-3-7(2)13-11(15)9-6-8(14)4-5-10(9)12/h1,4-7,14H,12H2,2H3,(H,13,15)
InChIKeyQWHCLBKQGVCPHR-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.73
Rot. Bonds2

About 2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide

2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide (PubChem CID 102739361) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide
PubChem CID102739361
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide
SMILESC#CC(C)NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C11H12N2O2/c1-3-7(2)13-11(15)9-6-8(14)4-5-10(9)12/h1,4-7,14H,12H2,2H3,(H,13,15)
InChIKeyQWHCLBKQGVCPHR-UHFFFAOYSA-N
XLogP0.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide
CID 106223358
2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne
CID 143940504
2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide
CID 102739283
2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide
CID 107074317
2-amino-5-hydroxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 131921480
N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide
CID 114390061
5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide
CID 114389823
2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 114167823
2-amino-5-hydroxy-N',N'-dimethylbenzohydrazide
CID 107075849
2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208042
N-but-3-yn-2-yl-2,5-dimethoxybenzamide
CID 114389664
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide (CID 102739361) is 2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide is C#CC(C)NC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide?
The InChIKey is QWHCLBKQGVCPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-7(2)13-11(15)9-6-8(14)4-5-10(9)12/h1,4-7,14H,12H2,2H3,(H,13,15).
What are the key properties of 2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide?
2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide has a molecular weight of 204.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-but-3-yn-2-yl-5-hydroxybenzamide is sourced from PubChem (CID 102739361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).