2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide

C16H12FN3O2 — CID 5306648

IUPAC2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide
SMILESNC(=O)c1c(N)c(C(=O)c2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C16H12FN3O2/c17-10-6-4-9(5-7-10)15(21)14-13(18)12(16(19)22)11-3-1-2-8-20(11)14/h1-8H,18H2,(H2,19,22)
InChIKeyORCDRDYWPJRKDA-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.99
Rot. Bonds3

About 2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide

2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide (PubChem CID 5306648) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide
PubChem CID5306648
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide
SMILESNC(=O)c1c(N)c(C(=O)c2ccc(F)cc2)n2ccccc12
InChIInChI=1S/C16H12FN3O2/c17-10-6-4-9(5-7-10)15(21)14-13(18)12(16(19)22)11-3-1-2-8-20(11)14/h1-8H,18H2,(H2,19,22)
InChIKeyORCDRDYWPJRKDA-UHFFFAOYSA-N
XLogP1.99
TPSA90.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide?
The IUPAC name of 2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide (CID 5306648) is 2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide.
What is the SMILES notation for 2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide?
The canonical SMILES for 2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide is NC(=O)c1c(N)c(C(=O)c2ccc(F)cc2)n2ccccc12.
What is the InChIKey of 2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide?
The InChIKey is ORCDRDYWPJRKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-10-6-4-9(5-7-10)15(21)14-13(18)12(16(19)22)11-3-1-2-8-20(11)14/h1-8H,18H2,(H2,19,22).
What are the key properties of 2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide?
2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide is sourced from PubChem (CID 5306648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).