N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide

C16H13FN4O4 — CID 110500359

IUPACN-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
SMILESCc1cn2cccc(OCC(=O)Nc3ccc([N+](=O)[O-])c(F)c3)c2n1
InChIInChI=1S/C16H13FN4O4/c1-10-8-20-6-2-3-14(16(20)18-10)25-9-15(22)19-11-4-5-13(21(23)24)12(17)7-11/h2-8H,9H2,1H3,(H,19,22)
InChIKeyVPUUQXAPECSMMA-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.71
Rot. Bonds5

About N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide

N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide (PubChem CID 110500359) has the molecular formula C16H13FN4O4 and a molecular weight of 344.30 g/mol. Its IUPAC name is N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
PubChem CID110500359
Molecular FormulaC16H13FN4O4
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC NameN-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
SMILESCc1cn2cccc(OCC(=O)Nc3ccc([N+](=O)[O-])c(F)c3)c2n1
InChIInChI=1S/C16H13FN4O4/c1-10-8-20-6-2-3-14(16(20)18-10)25-9-15(22)19-11-4-5-13(21(23)24)12(17)7-11/h2-8H,9H2,1H3,(H,19,22)
InChIKeyVPUUQXAPECSMMA-UHFFFAOYSA-N
XLogP2.71
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.71
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-(2,4-difluorophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500320
5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid
CID 110500173
methyl 3-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzoate
CID 110500306
N-(2-methoxy-5-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500224
[4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid
CID 110500265
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110500353
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110500276
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110496806
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
N-(4-fluoro-3-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7478517
N-[(4-chlorophenyl)methyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110496827
N-(4-fluoro-3-nitrophenyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4840036

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide?
The IUPAC name of N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide (CID 110500359) is N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide.
What is the SMILES notation for N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide?
The canonical SMILES for N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide is Cc1cn2cccc(OCC(=O)Nc3ccc([N+](=O)[O-])c(F)c3)c2n1.
What is the InChIKey of N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide?
The InChIKey is VPUUQXAPECSMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O4/c1-10-8-20-6-2-3-14(16(20)18-10)25-9-15(22)19-11-4-5-13(21(23)24)12(17)7-11/h2-8H,9H2,1H3,(H,19,22).
What are the key properties of N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide?
N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide has a molecular weight of 344.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide is sourced from PubChem (CID 110500359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).