2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide

C16H15FN2O5S — CID 142578204

IUPAC2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(F)cccc2[N+](=O)[O-])cc1S(C)(=O)=O
InChIInChI=1S/C16H15FN2O5S/c1-10-6-7-11(8-15(10)25(2,23)24)18-16(20)9-12-13(17)4-3-5-14(12)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeySVHJROGHRVTDQC-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.63
Rot. Bonds5

About 2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide

2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide (PubChem CID 142578204) has the molecular formula C16H15FN2O5S and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide
PubChem CID142578204
Molecular FormulaC16H15FN2O5S
Molecular Weight366.37 g/mol
Exact Mass366.07
IUPAC Name2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(F)cccc2[N+](=O)[O-])cc1S(C)(=O)=O
InChIInChI=1S/C16H15FN2O5S/c1-10-6-7-11(8-15(10)25(2,23)24)18-16(20)9-12-13(17)4-3-5-14(12)19(21)22/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeySVHJROGHRVTDQC-UHFFFAOYSA-N
XLogP2.63
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 25435774
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide
CID 8933282
N-(3-chloro-4-methylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384920
4-methyl-N-[(4-methyl-3-nitrophenyl)methyl]-3-methylsulfonylaniline
CID 86785176
4-methyl-N-[2-(3-methylsulfonyl-4-nitroanilino)ethyl]benzamide
CID 133401706
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 7832893
N-[2-(3-methylphenyl)ethyl]-3-methylsulfonyl-4-nitroaniline
CID 133400838
2-(3-fluorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107367
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide
CID 9100299
2-fluoro-6-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide
CID 104916506
N-(3-bromo-4-fluorophenyl)-2-(2-nitrophenyl)acetamide
CID 115661368

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide (CID 142578204) is 2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide is Cc1ccc(NC(=O)Cc2c(F)cccc2[N+](=O)[O-])cc1S(C)(=O)=O.
What is the InChIKey of 2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide?
The InChIKey is SVHJROGHRVTDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5S/c1-10-6-7-11(8-15(10)25(2,23)24)18-16(20)9-12-13(17)4-3-5-14(12)19(21)22/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide?
2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide has a molecular weight of 366.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-nitrophenyl)-N-(4-methyl-3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 142578204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).