4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide

C11H8FN3O3 — CID 79100073

IUPAC4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide
SMILESO=C(Nn1cccc1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H8FN3O3/c12-9-4-3-8(7-10(9)15(17)18)11(16)13-14-5-1-2-6-14/h1-7H,(H,13,16)
InChIKeyQZVWBDGQUXXTCH-UHFFFAOYSA-N
MW249.20 g/mol
LogP1.92
Rot. Bonds3

About 4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide

4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide (PubChem CID 79100073) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide
PubChem CID79100073
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide
SMILESO=C(Nn1cccc1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H8FN3O3/c12-9-4-3-8(7-10(9)15(17)18)11(16)13-14-5-1-2-6-14/h1-7H,(H,13,16)
InChIKeyQZVWBDGQUXXTCH-UHFFFAOYSA-N
XLogP1.92
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
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-(2,5-dimethylpyrrol-1-yl)-4-fluoro-3-nitrobenzamide
CID 79101237
4-fluoro-3-nitro-N-sulfanylbenzamide
CID 142948721
4-fluoro-N-methylsulfonyl-3-nitrobenzamide
CID 153492334
4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzamide
CID 106180498
N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215672
methyl 4-fluoro-3-nitrobenzoate
CID 5219721
N-(cyanomethyl)-4-fluoro-3-nitrobenzamide
CID 61249673
N'-(4-fluoro-3-nitrobenzoyl)furan-2-carbohydrazide
CID 135347144
4-fluoro-N-[(1-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 103722148
N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide
CID 43244057
4-fluoro-3-nitro-N-pyridin-3-ylbenzamide
CID 43215734
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluoro-3-nitrobenzamide
CID 60704767

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide?
The IUPAC name of 4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide (CID 79100073) is 4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide.
What is the SMILES notation for 4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide?
The canonical SMILES for 4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide is O=C(Nn1cccc1)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide?
The InChIKey is QZVWBDGQUXXTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c12-9-4-3-8(7-10(9)15(17)18)11(16)13-14-5-1-2-6-14/h1-7H,(H,13,16).
What are the key properties of 4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide?
4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide has a molecular weight of 249.20 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-nitro-N-pyrrol-1-ylbenzamide is sourced from PubChem (CID 79100073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).