N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide

C20H13FN4O3 — CID 3283589

IUPACN-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H13FN4O3/c21-15-9-7-13(8-10-15)18-19(24-11-2-1-6-17(24)22-18)23-20(26)14-4-3-5-16(12-14)25(27)28/h1-12H,(H,23,26)
InChIKeyYILHTMHSBWOIPA-UHFFFAOYSA-N
MW376.35 g/mol
LogP4.30
Rot. Bonds4

About N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide

N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide (PubChem CID 3283589) has the molecular formula C20H13FN4O3 and a molecular weight of 376.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide
PubChem CID3283589
Molecular FormulaC20H13FN4O3
Molecular Weight376.35 g/mol
Exact Mass376.10
IUPAC NameN-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H13FN4O3/c21-15-9-7-13(8-10-15)18-19(24-11-2-1-6-17(24)22-18)23-20(26)14-4-3-5-16(12-14)25(27)28/h1-12H,(H,23,26)
InChIKeyYILHTMHSBWOIPA-UHFFFAOYSA-N
XLogP4.30
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide (CID 3283589) is N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide is O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide?
The InChIKey is YILHTMHSBWOIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O3/c21-15-9-7-13(8-10-15)18-19(24-11-2-1-6-17(24)22-18)23-20(26)14-4-3-5-16(12-14)25(27)28/h1-12H,(H,23,26).
What are the key properties of N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide?
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide has a molecular weight of 376.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide is sourced from PubChem (CID 3283589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).