N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide

C17H14FNOS — CID 90547949

IUPACN-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC#Cc1ccccc1F
InChIInChI=1S/C17H14FNOS/c1-21-16-11-5-3-9-14(16)17(20)19-12-6-8-13-7-2-4-10-15(13)18/h2-5,7,9-11H,12H2,1H3,(H,19,20)
InChIKeyAZKNESZSDFWJSX-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.33
Rot. Bonds3

About N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide

N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide (PubChem CID 90547949) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide
PubChem CID90547949
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC NameN-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC#Cc1ccccc1F
InChIInChI=1S/C17H14FNOS/c1-21-16-11-5-3-9-14(16)17(20)19-12-6-8-13-7-2-4-10-15(13)18/h2-5,7,9-11H,12H2,1H3,(H,19,20)
InChIKeyAZKNESZSDFWJSX-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.33
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

N-[3-(2-fluorophenyl)prop-2-ynyl]-2-iodobenzamide
CID 90547862
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methoxyacetamide
CID 90547821
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
N-butyl-2-methylsulfanylbenzamide
CID 59510338
N-(2-methoxyethyl)-2-methylsulfanylbenzamide
CID 5090487
1-(2,6-difluorophenyl)-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552580
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90547954
4-ethoxy-N-[3-(2-fluorophenyl)prop-2-ynyl]benzamide
CID 90547842
N-[3-(2-fluorophenyl)prop-2-ynyl]-6-oxopyran-3-carboxamide
CID 90547962
N-(4-cyanobutyl)-2-methylsulfanylbenzamide
CID 78929278
1-benzyl-3-[3-(2-fluorophenyl)prop-2-ynyl]urea
CID 90552583
2-[4-[(2-methylsulfanylbenzoyl)amino]but-2-ynoxy]benzamide
CID 90580532

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide (CID 90547949) is N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCC#Cc1ccccc1F.
What is the InChIKey of N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide?
The InChIKey is AZKNESZSDFWJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNOS/c1-21-16-11-5-3-9-14(16)17(20)19-12-6-8-13-7-2-4-10-15(13)18/h2-5,7,9-11H,12H2,1H3,(H,19,20).
What are the key properties of N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide?
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)prop-2-ynyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 90547949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).