ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide

C16H16FN5O3 — CID 144718110

IUPACethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide
SMILESCC.CC(=O)Nc1cnc2nc(-c3cc([N+](=O)[O-])ccc3F)cn2c1
InChIInChI=1S/C14H10FN5O3.C2H6/c1-8(21)17-9-5-16-14-18-13(7-19(14)6-9)11-4-10(20(22)23)2-3-12(11)15;1-2/h2-7H,1H3,(H,17,21);1-2H3
InChIKeyXWMSRYMNQVDGIQ-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.43
Rot. Bonds3

About ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide

ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide (PubChem CID 144718110) has the molecular formula C16H16FN5O3 and a molecular weight of 345.33 g/mol. Its IUPAC name is ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide
PubChem CID144718110
Molecular FormulaC16H16FN5O3
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Nameethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide
SMILESCC.CC(=O)Nc1cnc2nc(-c3cc([N+](=O)[O-])ccc3F)cn2c1
InChIInChI=1S/C14H10FN5O3.C2H6/c1-8(21)17-9-5-16-14-18-13(7-19(14)6-9)11-4-10(20(22)23)2-3-12(11)15;1-2/h2-7H,1H3,(H,17,21);1-2H3
InChIKeyXWMSRYMNQVDGIQ-UHFFFAOYSA-N
XLogP3.43
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.43
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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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide?
The IUPAC name of ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide (CID 144718110) is ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide.
What is the SMILES notation for ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide?
The canonical SMILES for ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide is CC.CC(=O)Nc1cnc2nc(-c3cc([N+](=O)[O-])ccc3F)cn2c1.
What is the InChIKey of ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide?
The InChIKey is XWMSRYMNQVDGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O3.C2H6/c1-8(21)17-9-5-16-14-18-13(7-19(14)6-9)11-4-10(20(22)23)2-3-12(11)15;1-2/h2-7H,1H3,(H,17,21);1-2H3.
What are the key properties of ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide?
ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide has a molecular weight of 345.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(2-fluoro-5-nitrophenyl)imidazo[1,2-a]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 144718110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).