2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate

C22H12BrClNO3- — CID 45034959

IUPAC2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate
SMILESO=C([O-])c1ccn2c(C(=O)c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)cc2c1
InChIInChI=1S/C22H13BrClNO3/c23-16-5-1-13(2-6-16)19-12-18-11-15(22(27)28)9-10-25(18)20(19)21(26)14-3-7-17(24)8-4-14/h1-12H,(H,27,28)/p-1
InChIKeyYOUCVVRIPLGAMZ-UHFFFAOYSA-M
MW453.70 g/mol
LogP4.62
Rot. Bonds4

About 2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate

2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate (PubChem CID 45034959) has the molecular formula C22H12BrClNO3- and a molecular weight of 453.70 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate
PubChem CID45034959
Molecular FormulaC22H12BrClNO3-
Molecular Weight453.70 g/mol
Exact Mass451.97
IUPAC Name2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate
SMILESO=C([O-])c1ccn2c(C(=O)c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)cc2c1
InChIInChI=1S/C22H13BrClNO3/c23-16-5-1-13(2-6-16)19-12-18-11-15(22(27)28)9-10-25(18)20(19)21(26)14-3-7-17(24)8-4-14/h1-12H,(H,27,28)/p-1
InChIKeyYOUCVVRIPLGAMZ-UHFFFAOYSA-M
XLogP4.62
TPSA61.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.70
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_I(1)', 'substructure': 'N/A'}

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Related Compounds

sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate
CID 23670330
sodium;3-acetyl-2-(4-chlorophenyl)indolizine-6-carboxylate;trihydrate
CID 44660362
[5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone
CID 71573568
sodium;3-benzoyl-2-phenylindolizine-6-carboxylate;hydrate
CID 44655568
[2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone
CID 4067347
[4-(azepan-1-yl)-3-nitrophenyl]-[2-(4-chlorophenyl)indolizin-3-yl]methanone
CID 4969065
(6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone
CID 5305001
[3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone
CID 19021727
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
(4-bromophenyl)-[2-(4-bromophenyl)phenyl]methanone
CID 141419819
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
7-bromo-1-(4-chlorobenzoyl)pyrrolo[1,2-a]quinoline-2,3-dicarboxylic acid
CID 174220955

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate?
The IUPAC name of 2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate (CID 45034959) is 2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate is O=C([O-])c1ccn2c(C(=O)c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)cc2c1.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate?
The InChIKey is YOUCVVRIPLGAMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H13BrClNO3/c23-16-5-1-13(2-6-16)19-12-18-11-15(22(27)28)9-10-25(18)20(19)21(26)14-3-7-17(24)8-4-14/h1-12H,(H,27,28)/p-1.
What are the key properties of 2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate?
2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate has a molecular weight of 453.70 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-chlorobenzoyl)indolizine-7-carboxylate is sourced from PubChem (CID 45034959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).