2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide

C13H10FN3O2 — CID 63562624

IUPAC2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide
SMILESO=C(Nc1ncc[nH]1)c1ccc(C#CCO)cc1F
InChIInChI=1S/C13H10FN3O2/c14-11-8-9(2-1-7-18)3-4-10(11)12(19)17-13-15-5-6-16-13/h3-6,8,18H,7H2,(H2,15,16,17,19)
InChIKeyFWRYDVVYVIPOGQ-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.14
Rot. Bonds2

About 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide

2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide (PubChem CID 63562624) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide
PubChem CID63562624
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide
SMILESO=C(Nc1ncc[nH]1)c1ccc(C#CCO)cc1F
InChIInChI=1S/C13H10FN3O2/c14-11-8-9(2-1-7-18)3-4-10(11)12(19)17-13-15-5-6-16-13/h3-6,8,18H,7H2,(H2,15,16,17,19)
InChIKeyFWRYDVVYVIPOGQ-UHFFFAOYSA-N
XLogP1.14
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pyridazin-3-ylbenzamide
CID 116787533
2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821042
2,4-dichloro-N-(1H-imidazol-2-yl)benzamide
CID 55027572
2-fluoro-4-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 107677282
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide
CID 63564141
2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide
CID 102820853
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1H-imidazol-2-yl)benzamide
CID 55213944
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816257
N-[2-(carbamoylamino)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 83114949
3,4-difluoro-N-(1H-imidazol-2-yl)benzamide
CID 63565198
N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60817211
5-chloro-N-(1H-imidazol-2-yl)-2-methoxybenzamide
CID 60967782

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide?
The IUPAC name of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide (CID 63562624) is 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide is O=C(Nc1ncc[nH]1)c1ccc(C#CCO)cc1F.
What is the InChIKey of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide?
The InChIKey is FWRYDVVYVIPOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c14-11-8-9(2-1-7-18)3-4-10(11)12(19)17-13-15-5-6-16-13/h3-6,8,18H,7H2,(H2,15,16,17,19).
What are the key properties of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide?
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide has a molecular weight of 259.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 63562624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).