N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide

C16H14FNOS — CID 6472262

IUPACN-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide
SMILESC=CCSc1ccccc1C(=O)Nc1ccccc1F
InChIInChI=1S/C16H14FNOS/c1-2-11-20-15-10-6-3-7-12(15)16(19)18-14-9-5-4-8-13(14)17/h2-10H,1,11H2,(H,18,19)
InChIKeyJVFDIABNNASTDJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.36
Rot. Bonds5

About N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide

N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide (PubChem CID 6472262) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide
PubChem CID6472262
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC NameN-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide
SMILESC=CCSc1ccccc1C(=O)Nc1ccccc1F
InChIInChI=1S/C16H14FNOS/c1-2-11-20-15-10-6-3-7-12(15)16(19)18-14-9-5-4-8-13(14)17/h2-10H,1,11H2,(H,18,19)
InChIKeyJVFDIABNNASTDJ-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 115930203
3-amino-2-methyl-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 61102392
N-(2-fluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 78777754
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
4-acetamido-N-(2-prop-2-enylsulfanylphenyl)benzamide
CID 33002746
2-(ethylamino)-N-(2-fluorophenyl)benzamide
CID 55042608
3-oxo-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 54867229
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-(3-piperidin-1-ylpropyl)-2-prop-2-enylsulfanylbenzamide
CID 70702528
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
2-[(2-ethylsulfanylbenzoyl)amino]benzoic acid
CID 17204466

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide?
The IUPAC name of N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide (CID 6472262) is N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide?
The canonical SMILES for N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide is C=CCSc1ccccc1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide?
The InChIKey is JVFDIABNNASTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c1-2-11-20-15-10-6-3-7-12(15)16(19)18-14-9-5-4-8-13(14)17/h2-10H,1,11H2,(H,18,19).
What are the key properties of N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide?
N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide has a molecular weight of 287.36 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-prop-2-enylsulfanylbenzamide is sourced from PubChem (CID 6472262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).