3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide

C10H12FNOS — CID 154815656

IUPAC3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
SMILESCN(CCS)C(=O)c1cccc(F)c1
InChIInChI=1S/C10H12FNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3
InChIKeyLDKKTSNZLWHURK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.83
Rot. Bonds3

About 3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide

3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide (PubChem CID 154815656) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
PubChem CID154815656
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
SMILESCN(CCS)C(=O)c1cccc(F)c1
InChIInChI=1S/C10H12FNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3
InChIKeyLDKKTSNZLWHURK-UHFFFAOYSA-N
XLogP1.83
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-3-fluoro-N-methylbenzamide
CID 80659799
N-(2-amino-2-oxoethyl)-3-fluoro-N-methylbenzamide
CID 47210213
3-fluoro-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)benzamide
CID 4743909
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide
CID 167530331
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide
CID 55243516
N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
CID 43136499
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-3-enyl]-3-fluoro-N-methylbenzamide
CID 144504231
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 78781530
3-fluoro-N,N-di(nonyl)benzamide
CID 533098

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide?
The IUPAC name of 3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide (CID 154815656) is 3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide is CN(CCS)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide?
The InChIKey is LDKKTSNZLWHURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-12(5-6-14)10(13)8-3-2-4-9(11)7-8/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide?
3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide has a molecular weight of 213.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(2-sulfanylethyl)benzamide is sourced from PubChem (CID 154815656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).