2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide

C17H18FN3O4 — CID 9100984

IUPAC2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
SMILESCOc1cc(NC(=O)CNc2ccc(C)cc2F)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18FN3O4/c1-10-4-5-13(12(18)6-10)19-9-17(22)20-14-8-16(25-3)15(21(23)24)7-11(14)2/h4-8,19H,9H2,1-3H3,(H,20,22)
InChIKeyCJYWSOQDKKGGMS-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.41
Rot. Bonds6

About 2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide

2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide (PubChem CID 9100984) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
PubChem CID9100984
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
SMILESCOc1cc(NC(=O)CNc2ccc(C)cc2F)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18FN3O4/c1-10-4-5-13(12(18)6-10)19-9-17(22)20-14-8-16(25-3)15(21(23)24)7-11(14)2/h4-8,19H,9H2,1-3H3,(H,20,22)
InChIKeyCJYWSOQDKKGGMS-UHFFFAOYSA-N
XLogP3.41
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
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

2-(2-chloroanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 9098737
2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide
CID 26438397
N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide
CID 86802918
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
2-(2-bromo-4-methylphenoxy)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 7949272
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7522917
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024965
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
[2-(tert-butylamino)-2-oxoethyl]-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 8756805

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide (CID 9100984) is 2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide is COc1cc(NC(=O)CNc2ccc(C)cc2F)c(C)cc1[N+](=O)[O-].
What is the InChIKey of 2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
The InChIKey is CJYWSOQDKKGGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-10-4-5-13(12(18)6-10)19-9-17(22)20-14-8-16(25-3)15(21(23)24)7-11(14)2/h4-8,19H,9H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide?
2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide has a molecular weight of 347.35 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide is sourced from PubChem (CID 9100984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).