4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide

C17H15ClF3NOS — CID 2742039

IUPAC4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide
SMILESO=C(NCCSCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3NOS/c18-15-6-4-13(5-7-15)16(23)22-8-9-24-11-12-2-1-3-14(10-12)17(19,20)21/h1-7,10H,8-9,11H2,(H,22,23)
InChIKeyOVLIRMYIVOKVPI-UHFFFAOYSA-N
MW373.83 g/mol
LogP5.02
Rot. Bonds6

About 4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide

4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide (PubChem CID 2742039) has the molecular formula C17H15ClF3NOS and a molecular weight of 373.83 g/mol. Its IUPAC name is 4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide
PubChem CID2742039
Molecular FormulaC17H15ClF3NOS
Molecular Weight373.83 g/mol
Exact Mass373.05
IUPAC Name4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide
SMILESO=C(NCCSCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3NOS/c18-15-6-4-13(5-7-15)16(23)22-8-9-24-11-12-2-1-3-14(10-12)17(19,20)21/h1-7,10H,8-9,11H2,(H,22,23)
InChIKeyOVLIRMYIVOKVPI-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.83
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-N-phenethylbenzamide
CID 306479
N-benzyl-4-chlorobenzamide
CID 346668
(4-Chlorophenyl)(1,4-thiazinan-4-yl)methanone
CID 587190
4-chloro-N-(2-methyl-1,3-dithian-5-yl)benzamide
CID 2805620
3-chloro-N-tetrahydro-3-thiophenylbenzamide
CID 2805655
N-(5-Chloro-2-ethanesulfonyl-benzyl)-3-trifluoromethyl-benzamide
CID 72195071
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-phenylsulfanylethylamino)methyl]piperidin-1-yl]methanone
CID 146025790
4-chloro-N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 9534854
4-chloro-N-(2-oxothiolan-3-yl)benzamide
CID 2769118
2-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 2284706
N-(3-chlorobenzyl)-3-(trifluoromethyl)benzenecarboxamide
CID 1490150
3,5-Dichloro-N-(3-(trifluoromethyl)benzyl)benzenecarboxamide
CID 1490177

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide (CID 2742039) is 4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide is O=C(NCCSCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide?
The InChIKey is OVLIRMYIVOKVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NOS/c18-15-6-4-13(5-7-15)16(23)22-8-9-24-11-12-2-1-3-14(10-12)17(19,20)21/h1-7,10H,8-9,11H2,(H,22,23).
What are the key properties of 4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide?
4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide has a molecular weight of 373.83 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 2742039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).