2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide

C17H16ClF3N2OS — CID 151615920

IUPAC2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide
SMILESCCSc1ccc(Cl)cc1Cc1cc(C(F)(F)F)cc(C(N)=O)c1N
InChIInChI=1S/C17H16ClF3N2OS/c1-2-25-14-4-3-12(18)7-9(14)5-10-6-11(17(19,20)21)8-13(15(10)22)16(23)24/h3-4,6-8H,2,5,22H2,1H3,(H2,23,24)
InChIKeyVYYFSBPSXDARLJ-UHFFFAOYSA-N
MW388.84 g/mol
LogP4.74
Rot. Bonds5

About 2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide

2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide (PubChem CID 151615920) has the molecular formula C17H16ClF3N2OS and a molecular weight of 388.84 g/mol. Its IUPAC name is 2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide
PubChem CID151615920
Molecular FormulaC17H16ClF3N2OS
Molecular Weight388.84 g/mol
Exact Mass388.06
IUPAC Name2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide
SMILESCCSc1ccc(Cl)cc1Cc1cc(C(F)(F)F)cc(C(N)=O)c1N
InChIInChI=1S/C17H16ClF3N2OS/c1-2-25-14-4-3-12(18)7-9(14)5-10-6-11(17(19,20)21)8-13(15(10)22)16(23)24/h3-4,6-8H,2,5,22H2,1H3,(H2,23,24)
InChIKeyVYYFSBPSXDARLJ-UHFFFAOYSA-N
XLogP4.74
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.84
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-2-ethylsulfanylphenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide
CID 134548383
N-[(5-chloro-2-ethylsulfanylphenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
CID 134548583
8-chloro-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-6-(trifluoromethyl)quinazolin-4-one
CID 118042973
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
ethyl 2-ethylsulfanyl-4-(trifluoromethyl)benzoate
CID 91876377
5-chloro-2-ethylsulfanylaniline;hydrochloride
CID 17381710
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 110525145
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
[2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone
CID 101243523
2-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide
CID 123839907

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide (CID 151615920) is 2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide is CCSc1ccc(Cl)cc1Cc1cc(C(F)(F)F)cc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is VYYFSBPSXDARLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2OS/c1-2-25-14-4-3-12(18)7-9(14)5-10-6-11(17(19,20)21)8-13(15(10)22)16(23)24/h3-4,6-8H,2,5,22H2,1H3,(H2,23,24).
What are the key properties of 2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide?
2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 388.84 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(5-chloro-2-ethylsulfanylphenyl)methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 151615920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).