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

C22H15BrFN3O2 — CID 18576437

IUPAC2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H15BrFN3O2/c23-14-6-10-16(11-7-14)26-22(29)18-17-3-1-2-12-27(17)20(19(18)25)21(28)13-4-8-15(24)9-5-13/h1-12H,25H2,(H,26,29)
InChIKeyIAZVNBJLVIYVLL-UHFFFAOYSA-N
MW452.28 g/mol
LogP4.91
Rot. Bonds4

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

2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide (PubChem CID 18576437) has the molecular formula C22H15BrFN3O2 and a molecular weight of 452.28 g/mol. Its IUPAC name is 2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
PubChem CID18576437
Molecular FormulaC22H15BrFN3O2
Molecular Weight452.28 g/mol
Exact Mass451.03
IUPAC Name2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H15BrFN3O2/c23-14-6-10-16(11-7-14)26-22(29)18-17-3-1-2-12-27(17)20(19(18)25)21(28)13-4-8-15(24)9-5-13/h1-12H,25H2,(H,26,29)
InChIKeyIAZVNBJLVIYVLL-UHFFFAOYSA-N
XLogP4.91
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.28
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 7294632
2-amino-N-(4-ethylphenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576442
2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide
CID 18576512
2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide
CID 18576382
2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576467
2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide
CID 18576373
2-amino-3-benzoyl-N-(3,4-dichlorophenyl)indolizine-1-carboxamide
CID 18576462
2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide
CID 16955584
2-amino-N-(3,5-dichlorophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide
CID 20994575
2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide
CID 20994572
N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide
CID 2312208
2-amino-3-(4-methoxybenzoyl)indolizine-1-carboxamide
CID 177255832

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide?
The IUPAC name of 2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide (CID 18576437) is 2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide.
What is the SMILES notation for 2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide?
The canonical SMILES for 2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide is Nc1c(C(=O)Nc2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide?
The InChIKey is IAZVNBJLVIYVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrFN3O2/c23-14-6-10-16(11-7-14)26-22(29)18-17-3-1-2-12-27(17)20(19(18)25)21(28)13-4-8-15(24)9-5-13/h1-12H,25H2,(H,26,29).
What are the key properties of 2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide?
2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide has a molecular weight of 452.28 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide is sourced from PubChem (CID 18576437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).