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

C16H16ClFN2O3S — CID 2279598

IUPACN-(4-chloro-2-methylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H16ClFN2O3S/c1-11-9-12(17)7-8-14(11)19-16(21)10-20(24(2,22)23)15-6-4-3-5-13(15)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyBXMPDEOJZNLPJU-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.19
Rot. Bonds5

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

N-(4-chloro-2-methylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 2279598) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID2279598
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C16H16ClFN2O3S/c1-11-9-12(17)7-8-14(11)19-16(21)10-20(24(2,22)23)15-6-4-3-5-13(15)18/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyBXMPDEOJZNLPJU-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide (CID 2279598) is N-(4-chloro-2-methylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide is Cc1cc(Cl)ccc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is BXMPDEOJZNLPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-11-9-12(17)7-8-14(11)19-16(21)10-20(24(2,22)23)15-6-4-3-5-13(15)18/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
N-(4-chloro-2-methylphenyl)-2-(2-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-(4-chloro-2-methylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2279598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).