N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide

C15H17FN2O3 — CID 60821001

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cc(C#CCO)ccc1F
InChIInChI=1S/C15H17FN2O3/c1-17(2)14(20)10-18(3)15(21)12-9-11(5-4-8-19)6-7-13(12)16/h6-7,9,19H,8,10H2,1-3H3
InChIKeySMAQZRGOXRWJRU-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.33
Rot. Bonds3

About N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide

N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide (PubChem CID 60821001) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
PubChem CID60821001
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1cc(C#CCO)ccc1F
InChIInChI=1S/C15H17FN2O3/c1-17(2)14(20)10-18(3)15(21)12-9-11(5-4-8-19)6-7-13(12)16/h6-7,9,19H,8,10H2,1-3H3
InChIKeySMAQZRGOXRWJRU-UHFFFAOYSA-N
XLogP0.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79845719
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64517937
N-butan-2-yl-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 54921765
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide
CID 60816909
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide
CID 54880306
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide
CID 82949591
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(3-methoxypropyl)benzamide
CID 60820953
2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 103611936
N-(4-amino-4-oxobutyl)-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide
CID 60864702
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106406568
(3,5-dimethylpiperidin-1-yl)-[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60816434

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide (CID 60821001) is N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide is CN(C)C(=O)CN(C)C(=O)c1cc(C#CCO)ccc1F.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide?
The InChIKey is SMAQZRGOXRWJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-17(2)14(20)10-18(3)15(21)12-9-11(5-4-8-19)6-7-13(12)16/h6-7,9,19H,8,10H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide has a molecular weight of 292.31 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide is sourced from PubChem (CID 60821001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).