N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide

C17H13FN4O4 — CID 134022344

IUPACN-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C17H13FN4O4/c18-13-6-5-11(22(25)26)9-14(13)20-17(24)7-8-21-15-4-2-1-3-12(15)16(23)10-19-21/h1-6,9-10H,7-8H2,(H,20,24)
InChIKeyDHDSDCDPTMZTHP-UHFFFAOYSA-N
MW356.31 g/mol
LogP2.47
Rot. Bonds5

About N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide

N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 134022344) has the molecular formula C17H13FN4O4 and a molecular weight of 356.31 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID134022344
Molecular FormulaC17H13FN4O4
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC NameN-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C17H13FN4O4/c18-13-6-5-11(22(25)26)9-14(13)20-17(24)7-8-21-15-4-2-1-3-12(15)16(23)10-19-21/h1-6,9-10H,7-8H2,(H,20,24)
InChIKeyDHDSDCDPTMZTHP-UHFFFAOYSA-N
XLogP2.47
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097739
3-fluoro-4-methyl-5-[3-(4-oxocinnolin-1-yl)propanoylamino]benzamide
CID 87001719
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
N-(2-tert-butylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 134015345
N-(4-iodo-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 55439085
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-(3-chloro-2-methylphenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254629
N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55462318
2-fluoro-N'-[3-(4-oxocinnolin-1-yl)propanoyl]benzohydrazide
CID 51255034
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51278884
N-(2-fluoro-5-nitrophenyl)-4-phenylbutanamide
CID 1121904

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide (CID 134022344) is N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide is O=C(CCn1ncc(=O)c2ccccc21)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is DHDSDCDPTMZTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O4/c18-13-6-5-11(22(25)26)9-14(13)20-17(24)7-8-21-15-4-2-1-3-12(15)16(23)10-19-21/h1-6,9-10H,7-8H2,(H,20,24).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide?
N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 356.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 134022344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).