2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

C16H14Cl2FNOS — CID 55386908

IUPAC2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCc1ccc(SCCNC(=O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2FNOS/c1-10-2-4-11(5-3-10)22-7-6-20-16(21)12-8-15(19)14(18)9-13(12)17/h2-5,8-9H,6-7H2,1H3,(H,20,21)
InChIKeyKFYNDCIJRGCPJC-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.96
Rot. Bonds5

About 2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (PubChem CID 55386908) has the molecular formula C16H14Cl2FNOS and a molecular weight of 358.27 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
PubChem CID55386908
Molecular FormulaC16H14Cl2FNOS
Molecular Weight358.27 g/mol
Exact Mass357.02
IUPAC Name2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCc1ccc(SCCNC(=O)c2cc(F)c(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2FNOS/c1-10-2-4-11(5-3-10)22-7-6-20-16(21)12-8-15(19)14(18)9-13(12)17/h2-5,8-9H,6-7H2,1H3,(H,20,21)
InChIKeyKFYNDCIJRGCPJC-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]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

2-chloro-N-[2-(4-methylphenyl)sulfanylethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28631759
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2228271
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 8937377
N-[2-(4-methylphenyl)sulfanylethyl]-2-(trifluoromethyl)benzamide
CID 24629694
2,4-dichloro-5-fluoro-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 52706556
2,2,2-trifluoro-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 71411756
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide
CID 124544509
3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 94871823
2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide
CID 117044379
2-bromo-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 80965861
2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9457236

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (CID 55386908) is 2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is Cc1ccc(SCCNC(=O)c2cc(F)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The InChIKey is KFYNDCIJRGCPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNOS/c1-10-2-4-11(5-3-10)22-7-6-20-16(21)12-8-15(19)14(18)9-13(12)17/h2-5,8-9H,6-7H2,1H3,(H,20,21).
What are the key properties of 2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide has a molecular weight of 358.27 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is sourced from PubChem (CID 55386908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).