4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide

C16H17FN2OS — CID 43701049

IUPAC4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide
SMILESCSc1ccc(C(C)Nc2cc(C(N)=O)ccc2F)cc1
InChIInChI=1S/C16H17FN2OS/c1-10(11-3-6-13(21-2)7-4-11)19-15-9-12(16(18)20)5-8-14(15)17/h3-10,19H,1-2H3,(H2,18,20)
InChIKeyDTJMSWTWLPZOEQ-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.82
Rot. Bonds5

About 4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide

4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide (PubChem CID 43701049) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide
PubChem CID43701049
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide
SMILESCSc1ccc(C(C)Nc2cc(C(N)=O)ccc2F)cc1
InChIInChI=1S/C16H17FN2OS/c1-10(11-3-6-13(21-2)7-4-11)19-15-9-12(16(18)20)5-8-14(15)17/h3-10,19H,1-2H3,(H2,18,20)
InChIKeyDTJMSWTWLPZOEQ-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
CID 43700812
4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43701200
methyl 3-[1-(4-chlorophenyl)ethylamino]-4-fluorobenzoate
CID 43684447
3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide
CID 43701132
4-fluoro-3-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43728187
3-[1-(4-cyanophenyl)ethylamino]-4-fluorobenzoic acid
CID 43728169
3-fluoro-5-[1-(4-iodophenyl)ethylamino]-4-methylbenzamide
CID 43789078
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide
CID 82778357
3-[[1-(4-methylsulfanylphenyl)ethylamino]methyl]benzamide
CID 43664717

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide?
The IUPAC name of 4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide (CID 43701049) is 4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide.
What is the SMILES notation for 4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide?
The canonical SMILES for 4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide is CSc1ccc(C(C)Nc2cc(C(N)=O)ccc2F)cc1.
What is the InChIKey of 4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide?
The InChIKey is DTJMSWTWLPZOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-10(11-3-6-13(21-2)7-4-11)19-15-9-12(16(18)20)5-8-14(15)17/h3-10,19H,1-2H3,(H2,18,20).
What are the key properties of 4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide?
4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide has a molecular weight of 304.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide is sourced from PubChem (CID 43701049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).