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

C15H14FN3O3 — CID 9106237

IUPAC2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide
SMILESCc1cc(F)ccc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14FN3O3/c1-10-8-11(16)2-7-14(10)17-9-15(20)18-12-3-5-13(6-4-12)19(21)22/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyNTSDLUPHGRFKTA-UHFFFAOYSA-N
MW303.29 g/mol
LogP3.09
Rot. Bonds5

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

2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide (PubChem CID 9106237) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide
PubChem CID9106237
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide
SMILESCc1cc(F)ccc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14FN3O3/c1-10-8-11(16)2-7-14(10)17-9-15(20)18-12-3-5-13(6-4-12)19(21)22/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeyNTSDLUPHGRFKTA-UHFFFAOYSA-N
XLogP3.09
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 53.09
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

methyl 3-methyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzoate
CID 24662260
2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
CID 9099675
N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide
CID 42026341
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]azanium
CID 9253471
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
N-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]-4-nitrobenzamide
CID 7751857
2-[[2-(2-methyl-4-nitroanilino)acetyl]amino]acetic acid
CID 43465699
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methyl-5-nitroanilino)acetamide
CID 9081598
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide (CID 9106237) is 2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide is Cc1cc(F)ccc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide?
The InChIKey is NTSDLUPHGRFKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-10-8-11(16)2-7-14(10)17-9-15(20)18-12-3-5-13(6-4-12)19(21)22/h2-8,17H,9H2,1H3,(H,18,20).
What are the key properties of 2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide?
2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide has a molecular weight of 303.29 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 9106237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).