2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide

C16H16FN3O3 — CID 26438397

IUPAC2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(F)c1
InChIInChI=1S/C16H16FN3O3/c1-10-3-6-14(13(17)7-10)18-9-16(21)19-12-5-4-11(2)15(8-12)20(22)23/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyWLDFYWAWNJBCFE-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.40
Rot. Bonds5

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

2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide (PubChem CID 26438397) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide
PubChem CID26438397
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(F)c1
InChIInChI=1S/C16H16FN3O3/c1-10-3-6-14(13(17)7-10)18-9-16(21)19-12-5-4-11(2)15(8-12)20(22)23/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyWLDFYWAWNJBCFE-UHFFFAOYSA-N
XLogP3.40
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 9100984
2-methyl-N-[4-methyl-3-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 55892711
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-fluoro-4-methylanilino)acetamide
CID 26438400
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
2-(2,5-dimethylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9079711
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520076
N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 9212079
2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
CID 9099675
N-[4-methyl-3-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 55897358
N-(4-methyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604937
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide
CID 39753327

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide (CID 26438397) is 2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide is Cc1ccc(NCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide?
The InChIKey is WLDFYWAWNJBCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-10-3-6-14(13(17)7-10)18-9-16(21)19-12-5-4-11(2)15(8-12)20(22)23/h3-8,18H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide?
2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide has a molecular weight of 317.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 26438397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).