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

C15H16FNO3 — CID 82736858

IUPAC2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1ccc(C#CCO)cc1F
InChIInChI=1S/C15H16FNO3/c1-10-14(6-8-20-10)17-15(19)12-5-4-11(3-2-7-18)9-13(12)16/h4-5,9-10,14,18H,6-8H2,1H3,(H,17,19)
InChIKeyQLAWQVUDXABABS-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.08
Rot. Bonds2

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

2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82736858) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82736858
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1ccc(C#CCO)cc1F
InChIInChI=1S/C15H16FNO3/c1-10-14(6-8-20-10)17-15(19)12-5-4-11(3-2-7-18)9-13(12)16/h4-5,9-10,14,18H,6-8H2,1H3,(H,17,19)
InChIKeyQLAWQVUDXABABS-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
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-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770
N-(cyclobutylmethyl)-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816128
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816257
2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
(2,6-dimethylpiperidin-1-yl)-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60816431
[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62966778
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide
CID 60817068
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(thiolan-2-ylmethyl)benzamide
CID 80586087
N-[2-(carbamoylamino)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 83114949
(2-ethyl-5-methylpyrrolidin-1-yl)-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 83220602

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide (CID 82736858) is 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1NC(=O)c1ccc(C#CCO)cc1F.
What is the InChIKey of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is QLAWQVUDXABABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-10-14(6-8-20-10)17-15(19)12-5-4-11(3-2-7-18)9-13(12)16/h4-5,9-10,14,18H,6-8H2,1H3,(H,17,19).
What are the key properties of 2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide?
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 277.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 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-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82736858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).