2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide

C16H20FNO2 — CID 60816909

IUPAC2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(C#CCO)ccc1F
InChIInChI=1S/C16H20FNO2/c1-3-9-18(10-4-2)16(20)14-12-13(6-5-11-19)7-8-15(14)17/h7-8,12,19H,3-4,9-11H2,1-2H3
InChIKeyGFGVFFSFGXFOTD-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.43
Rot. Bonds5

About 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide

2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide (PubChem CID 60816909) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide.

Molecular Properties

Compound Name2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide
PubChem CID60816909
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(C#CCO)ccc1F
InChIInChI=1S/C16H20FNO2/c1-3-9-18(10-4-2)16(20)14-12-13(6-5-11-19)7-8-15(14)17/h7-8,12,19H,3-4,9-11H2,1-2H3
InChIKeyGFGVFFSFGXFOTD-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzamide
CID 54921810
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide
CID 54880306
N-butan-2-yl-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 54921765
N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 60821001
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79845719
N-(2-bromoethyl)-5-chloro-2-fluoro-N-propylbenzamide
CID 80665950
N-ethyl-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65310712
5-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 61425692
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64517937
5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79376979
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310982
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816257

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide?
The IUPAC name of 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide (CID 60816909) is 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide.
What is the SMILES notation for 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide?
The canonical SMILES for 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cc(C#CCO)ccc1F.
What is the InChIKey of 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide?
The InChIKey is GFGVFFSFGXFOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-3-9-18(10-4-2)16(20)14-12-13(6-5-11-19)7-8-15(14)17/h7-8,12,19H,3-4,9-11H2,1-2H3.
What are the key properties of 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide?
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide has a molecular weight of 277.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide is sourced from PubChem (CID 60816909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).