N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide

C15H13F2N3O3 — CID 42026341

IUPACN-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H13F2N3O3/c1-9-2-3-13(20(22)23)7-14(9)18-8-15(21)19-12-5-10(16)4-11(17)6-12/h2-7,18H,8H2,1H3,(H,19,21)
InChIKeyALGNVRJPTBIONN-UHFFFAOYSA-N
MW321.28 g/mol
LogP3.23
Rot. Bonds5

About N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide

N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide (PubChem CID 42026341) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide
PubChem CID42026341
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC NameN-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H13F2N3O3/c1-9-2-3-13(20(22)23)7-14(9)18-8-15(21)19-12-5-10(16)4-11(17)6-12/h2-7,18H,8H2,1H3,(H,19,21)
InChIKeyALGNVRJPTBIONN-UHFFFAOYSA-N
XLogP3.23
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 53.23
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

N-(2,6-dimethylphenyl)-2-(2-methyl-5-nitroanilino)acetamide
CID 9081630
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methyl-5-nitroanilino)acetamide
CID 9081598
2-(2-methyl-5-nitroanilino)-N-propylacetamide
CID 32894813
2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide
CID 9106237
N-(3-methylbutan-2-yl)-2-(2-methyl-5-nitroanilino)acetamide
CID 47145443
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7228803
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide
CID 18266904
2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 24510725
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079831
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide (CID 42026341) is N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide is Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide?
The InChIKey is ALGNVRJPTBIONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3/c1-9-2-3-13(20(22)23)7-14(9)18-8-15(21)19-12-5-10(16)4-11(17)6-12/h2-7,18H,8H2,1H3,(H,19,21).
What are the key properties of N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide?
N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide has a molecular weight of 321.28 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(2-methyl-5-nitroanilino)acetamide is sourced from PubChem (CID 42026341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).