2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide

C12H14N2O2 — CID 106223358

IUPAC2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide
SMILESC#CC(CC)NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H14N2O2/c1-3-8(4-2)14-12(16)10-7-9(15)5-6-11(10)13/h1,5-8,15H,4,13H2,2H3,(H,14,16)
InChIKeyZWRFPJFNEQKEMG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.12
Rot. Bonds3

About 2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide

2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide (PubChem CID 106223358) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide
PubChem CID106223358
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide
SMILESC#CC(CC)NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C12H14N2O2/c1-3-8(4-2)14-12(16)10-7-9(15)5-6-11(10)13/h1,5-8,15H,4,13H2,2H3,(H,14,16)
InChIKeyZWRFPJFNEQKEMG-UHFFFAOYSA-N
XLogP1.12
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.12
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-N-but-3-yn-2-yl-5-hydroxybenzamide
CID 102739361
2-amino-4,5-difluoro-N-pent-1-yn-3-ylbenzamide
CID 106223425
3,5-dihydroxy-N-pent-1-yn-3-ylbenzamide
CID 103579335
2-bromo-N-pent-1-yn-3-ylbenzamide
CID 103579076
2-amino-3-chloro-N-pent-1-yn-3-ylbenzamide
CID 106223380
2-hydroxy-5-iodo-N-pent-1-yn-3-ylbenzamide
CID 103579022
4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide
CID 114160322
3-amino-2-methoxy-N-pent-1-yn-3-ylbenzamide
CID 106223392
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-5-hydroxy-N-(2-hydroxybutyl)benzamide
CID 107076071
2-bromo-4-chloro-N-pent-1-yn-3-ylbenzamide
CID 103578921

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide?
The IUPAC name of 2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide (CID 106223358) is 2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide is C#CC(CC)NC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide?
The InChIKey is ZWRFPJFNEQKEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-8(4-2)14-12(16)10-7-9(15)5-6-11(10)13/h1,5-8,15H,4,13H2,2H3,(H,14,16).
What are the key properties of 2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide?
2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide has a molecular weight of 218.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-pent-1-yn-3-ylbenzamide is sourced from PubChem (CID 106223358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).