N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide

C15H14FN3O3 — CID 8933282

IUPACN-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)cc1F
InChIInChI=1S/C15H14FN3O3/c1-10-5-6-12(8-14(10)16)18-15(20)9-17-11-3-2-4-13(7-11)19(21)22/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeySRCNZKALHDURBI-UHFFFAOYSA-N
MW303.29 g/mol
LogP3.09
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide

N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide (PubChem CID 8933282) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide
PubChem CID8933282
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)cc1F
InChIInChI=1S/C15H14FN3O3/c1-10-5-6-12(8-14(10)16)18-15(20)9-17-11-3-2-4-13(7-11)19(21)22/h2-8,17H,9H2,1H3,(H,18,20)
InChIKeySRCNZKALHDURBI-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

N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-nitroanilino)acetamide
CID 9274168
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide
CID 9100299
2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9099428
N-(5-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
CID 17419612
2-(3-nitroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 9345460
N-(4-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
CID 9081448
N-(3-cyanophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100025
2-(3-cyanoanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9101406
N-(3-fluoro-4-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 37229754
2-chloro-N-(3-nitrophenyl)acetamide;N-(2-hydroxyethyl)-2-(3-nitroanilino)acetamide
CID 87642861
1-(3-nitroanilino)propan-2-one
CID 141021170
N-(3-fluoro-4-methylphenyl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8541966

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide (CID 8933282) is N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide is Cc1ccc(NC(=O)CNc2cccc([N+](=O)[O-])c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide?
The InChIKey is SRCNZKALHDURBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-10-5-6-12(8-14(10)16)18-15(20)9-17-11-3-2-4-13(7-11)19(21)22/h2-8,17H,9H2,1H3,(H,18,20).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)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 N-(3-fluoro-4-methylphenyl)-2-(3-nitroanilino)acetamide is sourced from PubChem (CID 8933282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).