2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide

C12H14FNOS — CID 107035038

IUPAC2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide
SMILESCC1CC1CNC(=O)c1cc(S)ccc1F
InChIInChI=1S/C12H14FNOS/c1-7-4-8(7)6-14-12(15)10-5-9(16)2-3-11(10)13/h2-3,5,7-8,16H,4,6H2,1H3,(H,14,15)
InChIKeyIKOJXJCHKCAMGZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.50
Rot. Bonds3

About 2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide

2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide (PubChem CID 107035038) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide
PubChem CID107035038
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC Name2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide
SMILESCC1CC1CNC(=O)c1cc(S)ccc1F
InChIInChI=1S/C12H14FNOS/c1-7-4-8(7)6-14-12(15)10-5-9(16)2-3-11(10)13/h2-3,5,7-8,16H,4,6H2,1H3,(H,14,15)
InChIKeyIKOJXJCHKCAMGZ-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.50
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

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-sulfanylbenzamide
CID 107029927
2-fluoro-5-sulfanyl-N-(thiolan-3-ylmethyl)benzamide
CID 107298606
N-[(2-methylcyclopropyl)methyl]-2-sulfanylbenzamide
CID 107035039
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-5-sulfanylbenzamide
CID 107022570
3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide
CID 103706830
2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107035035
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159
2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide
CID 107028407
N-[2-(carbamoylamino)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107034092
2-fluoro-N-hexyl-5-sulfanylbenzamide
CID 107030493

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide (CID 107035038) is 2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide is CC1CC1CNC(=O)c1cc(S)ccc1F.
What is the InChIKey of 2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide?
The InChIKey is IKOJXJCHKCAMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNOS/c1-7-4-8(7)6-14-12(15)10-5-9(16)2-3-11(10)13/h2-3,5,7-8,16H,4,6H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide?
2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide has a molecular weight of 239.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide is sourced from PubChem (CID 107035038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).