2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide

C15H13F2NOS — CID 107024225

IUPAC2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(S)ccc1F
InChIInChI=1S/C15H13F2NOS/c1-18(9-10-2-4-11(16)5-3-10)15(19)13-8-12(20)6-7-14(13)17/h2-8,20H,9H2,1H3
InChIKeyQJHPKDYCFSUGRT-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.53
Rot. Bonds3

About 2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide

2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide (PubChem CID 107024225) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide
PubChem CID107024225
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(S)ccc1F
InChIInChI=1S/C15H13F2NOS/c1-18(9-10-2-4-11(16)5-3-10)15(19)13-8-12(20)6-7-14(13)17/h2-8,20H,9H2,1H3
InChIKeyQJHPKDYCFSUGRT-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.53
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

2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-sulfanylbenzamide
CID 107024323
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699
2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide
CID 107027600
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
3,4,5-trifluoro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 63188707
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide (CID 107024225) is 2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide is CN(Cc1ccc(F)cc1)C(=O)c1cc(S)ccc1F.
What is the InChIKey of 2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide?
The InChIKey is QJHPKDYCFSUGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c1-18(9-10-2-4-11(16)5-3-10)15(19)13-8-12(20)6-7-14(13)17/h2-8,20H,9H2,1H3.
What are the key properties of 2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide?
2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide has a molecular weight of 293.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107024225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).