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

C14H11F2NOS — CID 107027600

IUPAC2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide
SMILESCN(C(=O)c1cc(S)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C14H11F2NOS/c1-17(10-4-2-9(15)3-5-10)14(18)12-8-11(19)6-7-13(12)16/h2-8,19H,1H3
InChIKeyIZUWXXHHOIXMAX-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.53
Rot. Bonds2

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

2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide (PubChem CID 107027600) has the molecular formula C14H11F2NOS and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide
PubChem CID107027600
Molecular FormulaC14H11F2NOS
Molecular Weight279.31 g/mol
Exact Mass279.05
IUPAC Name2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide
SMILESCN(C(=O)c1cc(S)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C14H11F2NOS/c1-17(10-4-2-9(15)3-5-10)14(18)12-8-11(19)6-7-13(12)16/h2-8,19H,1H3
InChIKeyIZUWXXHHOIXMAX-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
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

5-chloro-2-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61061330
2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide
CID 107024225
5-chloro-N-(4-fluorophenyl)-2-hydroxy-N-methylbenzamide
CID 61063244
2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61063397
N-(4-bromo-3-methylphenyl)-2,5-difluoro-N-methylbenzamide
CID 86963073
N-(4-cyanophenyl)-N,2-dimethyl-5-sulfanylbenzamide
CID 107028995
2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide
CID 107020927
2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 79787103
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
N-[2-(dimethylcarbamoylamino)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107034079
5-fluoro-2-hydroxy-N-methyl-N-(4-methylphenyl)benzamide
CID 115299057
N,N-bis(cyanomethyl)-2-fluoro-5-sulfanylbenzamide
CID 107020704

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide (CID 107027600) is 2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide is CN(C(=O)c1cc(S)ccc1F)c1ccc(F)cc1.
What is the InChIKey of 2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide?
The InChIKey is IZUWXXHHOIXMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NOS/c1-17(10-4-2-9(15)3-5-10)14(18)12-8-11(19)6-7-13(12)16/h2-8,19H,1H3.
What are the key properties of 2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide?
2-fluoro-N-(4-fluorophenyl)-N-methyl-5-sulfanylbenzamide has a molecular weight of 279.31 g/mol, XLogP of 3.53, 2 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)-N-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107027600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).