2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide

C23H18BrN3O2 — CID 18576382

IUPAC2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide
SMILESCc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(Br)cc3)n3ccccc23)c1
InChIInChI=1S/C23H18BrN3O2/c1-14-5-4-6-17(13-14)26-23(29)19-18-7-2-3-12-27(18)21(20(19)25)22(28)15-8-10-16(24)11-9-15/h2-13H,25H2,1H3,(H,26,29)
InChIKeyDPPZUUVIAWAFOI-UHFFFAOYSA-N
MW448.32 g/mol
LogP5.08
Rot. Bonds4

About 2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide

2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide (PubChem CID 18576382) has the molecular formula C23H18BrN3O2 and a molecular weight of 448.32 g/mol. Its IUPAC name is 2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide
PubChem CID18576382
Molecular FormulaC23H18BrN3O2
Molecular Weight448.32 g/mol
Exact Mass447.06
IUPAC Name2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide
SMILESCc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(Br)cc3)n3ccccc23)c1
InChIInChI=1S/C23H18BrN3O2/c1-14-5-4-6-17(13-14)26-23(29)19-18-7-2-3-12-27(18)21(20(19)25)22(28)15-8-10-16(24)11-9-15/h2-13H,25H2,1H3,(H,26,29)
InChIKeyDPPZUUVIAWAFOI-UHFFFAOYSA-N
XLogP5.08
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576437
2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide
CID 16955584
2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576467
2-amino-3-benzoyl-N-(3,4-dichlorophenyl)indolizine-1-carboxamide
CID 18576462
2-amino-N-(4-ethylphenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576442
2-amino-N-(3,5-dichlorophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide
CID 20994575
2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide
CID 18576512
2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide
CID 20994572
2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide
CID 18576502
2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide
CID 18576392
2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide
CID 16955655
(1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone
CID 141181646

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide?
The IUPAC name of 2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide (CID 18576382) is 2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide.
What is the SMILES notation for 2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide?
The canonical SMILES for 2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide is Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(Br)cc3)n3ccccc23)c1.
What is the InChIKey of 2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide?
The InChIKey is DPPZUUVIAWAFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O2/c1-14-5-4-6-17(13-14)26-23(29)19-18-7-2-3-12-27(18)21(20(19)25)22(28)15-8-10-16(24)11-9-15/h2-13H,25H2,1H3,(H,26,29).
What are the key properties of 2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide?
2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide has a molecular weight of 448.32 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide is sourced from PubChem (CID 18576382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).