N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

C16H16ClFN2O3S — CID 2278650

IUPACN-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H16ClFN2O3S/c1-11-3-6-13(9-15(11)17)19-16(21)10-20(24(2,22)23)14-7-4-12(18)5-8-14/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyIURXIHCZAGXXNU-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.19
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide

N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 2278650) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID2278650
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H16ClFN2O3S/c1-11-3-6-13(9-15(11)17)19-16(21)10-20(24(2,22)23)14-7-4-12(18)5-8-14/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyIURXIHCZAGXXNU-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide (CID 2278650) is N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is Cc1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is IURXIHCZAGXXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-11-3-6-13(9-15(11)17)19-16(21)10-20(24(2,22)23)14-7-4-12(18)5-8-14/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide?
N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 370.83 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2278650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).