4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide

C15H13F2NOS — CID 54513652

IUPAC4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(F)cc1Sc1ccc(F)cc1
InChIInChI=1S/C15H13F2NOS/c1-18(2)15(19)13-8-5-11(17)9-14(13)20-12-6-3-10(16)4-7-12/h3-9H,1-2H3
InChIKeyYKWNYYLAMRKSPW-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.82
Rot. Bonds3

About 4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide

4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide (PubChem CID 54513652) has the molecular formula C15H13F2NOS and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide
PubChem CID54513652
Molecular FormulaC15H13F2NOS
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(F)cc1Sc1ccc(F)cc1
InChIInChI=1S/C15H13F2NOS/c1-18(2)15(19)13-8-5-11(17)9-14(13)20-12-6-3-10(16)4-7-12/h3-9H,1-2H3
InChIKeyYKWNYYLAMRKSPW-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54120443
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N,N-dimethyl-2-phenylsulfanylbenzamide
CID 21402688
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide
CID 1201721
4-(4-fluorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid
CID 81238999
4-fluoro-2-(3-fluorophenyl)sulfanylbenzoyl chloride
CID 54468098
1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 113423330
2-(4-fluoro-2-nitrophenyl)sulfanyl-5-hydroxy-N,N-dimethylbenzamide
CID 24750202
2-(4-bromophenyl)sulfanyl-5-fluorobenzoic acid
CID 63675209
4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
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1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 10634160

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide?
The IUPAC name of 4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide (CID 54513652) is 4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide.
What is the SMILES notation for 4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide?
The canonical SMILES for 4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(F)cc1Sc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide?
The InChIKey is YKWNYYLAMRKSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NOS/c1-18(2)15(19)13-8-5-11(17)9-14(13)20-12-6-3-10(16)4-7-12/h3-9H,1-2H3.
What are the key properties of 4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide?
4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide has a molecular weight of 293.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-fluorophenyl)sulfanyl-N,N-dimethylbenzamide is sourced from PubChem (CID 54513652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).