4-fluoro-N-propyl-3-sulfanylbenzamide

C10H12FNOS — CID 107019371

IUPAC4-fluoro-N-propyl-3-sulfanylbenzamide
SMILESCCCNC(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C10H12FNOS/c1-2-5-12-10(13)7-3-4-8(11)9(14)6-7/h3-4,6,14H,2,5H2,1H3,(H,12,13)
InChIKeyBCESNYXEIKUZCA-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.25
Rot. Bonds3

About 4-fluoro-N-propyl-3-sulfanylbenzamide

4-fluoro-N-propyl-3-sulfanylbenzamide (PubChem CID 107019371) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-fluoro-N-propyl-3-sulfanylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-propyl-3-sulfanylbenzamide
PubChem CID107019371
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name4-fluoro-N-propyl-3-sulfanylbenzamide
SMILESCCCNC(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C10H12FNOS/c1-2-5-12-10(13)7-3-4-8(11)9(14)6-7/h3-4,6,14H,2,5H2,1H3,(H,12,13)
InChIKeyBCESNYXEIKUZCA-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.25
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-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide
CID 107019684
4-fluoro-3-hydroxy-N-propylbenzamide
CID 130057564
N-(3-butoxypropyl)-4-fluoro-3-sulfanylbenzamide
CID 107035417
4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide
CID 107029487
4-fluoro-N-(6-hydroxyhexyl)-3-sulfanylbenzamide
CID 114009456
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-sulfanylbenzamide
CID 106248577
4-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-sulfanylbenzamide
CID 107036494
4-cyano-3-fluoro-N-propylbenzamide
CID 91191816
N-[(2,5-difluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107030045
4-fluoro-N-(2-methylsulfinylpropyl)-3-sulfanylbenzamide
CID 107035456
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113
3,4-difluoro-N-heptylbenzamide
CID 91717416

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-propyl-3-sulfanylbenzamide?
The IUPAC name of 4-fluoro-N-propyl-3-sulfanylbenzamide (CID 107019371) is 4-fluoro-N-propyl-3-sulfanylbenzamide.
What is the SMILES notation for 4-fluoro-N-propyl-3-sulfanylbenzamide?
The canonical SMILES for 4-fluoro-N-propyl-3-sulfanylbenzamide is CCCNC(=O)c1ccc(F)c(S)c1.
What is the InChIKey of 4-fluoro-N-propyl-3-sulfanylbenzamide?
The InChIKey is BCESNYXEIKUZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-2-5-12-10(13)7-3-4-8(11)9(14)6-7/h3-4,6,14H,2,5H2,1H3,(H,12,13).
What are the key properties of 4-fluoro-N-propyl-3-sulfanylbenzamide?
4-fluoro-N-propyl-3-sulfanylbenzamide has a molecular weight of 213.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-propyl-3-sulfanylbenzamide is sourced from PubChem (CID 107019371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).