4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide

C16H16FNOS — CID 146322592

IUPAC4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide
SMILESCC(C)(S)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNOS/c1-16(2,20)12-4-3-5-14(10-12)18-15(19)11-6-8-13(17)9-7-11/h3-10,20H,1-2H3,(H,18,19)
InChIKeyYDZKLFXXKRGLQU-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.24
Rot. Bonds3

About 4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide

4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide (PubChem CID 146322592) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide
PubChem CID146322592
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide
SMILESCC(C)(S)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNOS/c1-16(2,20)12-4-3-5-14(10-12)18-15(19)11-6-8-13(17)9-7-11/h3-10,20H,1-2H3,(H,18,19)
InChIKeyYDZKLFXXKRGLQU-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
1-N,3-N,5-N-tris(3-tert-butylphenyl)benzene-1,3,5-tricarboxamide
CID 67992144
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
4-fluoro-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 1231329
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate
CID 3409068
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide (CID 146322592) is 4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide is CC(C)(S)c1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide?
The InChIKey is YDZKLFXXKRGLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-16(2,20)12-4-3-5-14(10-12)18-15(19)11-6-8-13(17)9-7-11/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of 4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide?
4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide is sourced from PubChem (CID 146322592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).