2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide

C15H14FNO2S — CID 107025437

IUPAC2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide
SMILESCOCc1cccc(NC(=O)c2cc(S)ccc2F)c1
InChIInChI=1S/C15H14FNO2S/c1-19-9-10-3-2-4-11(7-10)17-15(18)13-8-12(20)5-6-14(13)16/h2-8,20H,9H2,1H3,(H,17,18)
InChIKeySSCHLEXWMXZURF-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.51
Rot. Bonds4

About 2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide

2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide (PubChem CID 107025437) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide
PubChem CID107025437
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide
SMILESCOCc1cccc(NC(=O)c2cc(S)ccc2F)c1
InChIInChI=1S/C15H14FNO2S/c1-19-9-10-3-2-4-11(7-10)17-15(18)13-8-12(20)5-6-14(13)16/h2-8,20H,9H2,1H3,(H,17,18)
InChIKeySSCHLEXWMXZURF-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071
4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 63213049
2-fluoro-6-hydroxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 104916789
5-amino-2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 103296273
2-[[3-(methoxymethyl)phenyl]carbamoyl]benzoyl chloride
CID 142115034
2-iodo-N-[3-(methoxymethyl)phenyl]benzamide
CID 1313720
N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-carboxamide
CID 32638658
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
N-(3-bromo-4-fluorophenyl)-2-fluoro-5-sulfanylbenzamide
CID 107034981
4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 81227235
5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 32638343
3-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
CID 103988533

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide (CID 107025437) is 2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide is COCc1cccc(NC(=O)c2cc(S)ccc2F)c1.
What is the InChIKey of 2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide?
The InChIKey is SSCHLEXWMXZURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-19-9-10-3-2-4-11(7-10)17-15(18)13-8-12(20)5-6-14(13)16/h2-8,20H,9H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide?
2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide has a molecular weight of 291.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(methoxymethyl)phenyl]-5-sulfanylbenzamide is sourced from PubChem (CID 107025437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).