2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide

C22H16N4O4 — CID 18576373

IUPAC2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H16N4O4/c23-19-18(22(28)24-15-6-2-1-3-7-15)17-8-4-5-13-25(17)20(19)21(27)14-9-11-16(12-10-14)26(29)30/h1-13H,23H2,(H,24,28)
InChIKeyWVUJUHDUFZCDKG-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.91
Rot. Bonds5

About 2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide

2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide (PubChem CID 18576373) has the molecular formula C22H16N4O4 and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide.

Molecular Properties

Compound Name2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide
PubChem CID18576373
Molecular FormulaC22H16N4O4
Molecular Weight400.39 g/mol
Exact Mass400.12
IUPAC Name2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H16N4O4/c23-19-18(22(28)24-15-6-2-1-3-7-15)17-8-4-5-13-25(17)20(19)21(27)14-9-11-16(12-10-14)26(29)30/h1-13H,23H2,(H,24,28)
InChIKeyWVUJUHDUFZCDKG-UHFFFAOYSA-N
XLogP3.91
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
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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Related Compounds

2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide
CID 18576502
[2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone
CID 10030781
2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576437
2-amino-3-benzoyl-N-(3,4-dichlorophenyl)indolizine-1-carboxamide
CID 18576462
2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576467
2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide
CID 16955655
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
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide
CID 20994572
2-amino-3-(4-nitrobenzoyl)indolizine-1-carbonitrile;2-(2-chloropyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone;bromide
CID 45148704
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide?
The IUPAC name of 2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide (CID 18576373) is 2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide.
What is the SMILES notation for 2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide?
The canonical SMILES for 2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide is Nc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide?
The InChIKey is WVUJUHDUFZCDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4/c23-19-18(22(28)24-15-6-2-1-3-7-15)17-8-4-5-13-25(17)20(19)21(27)14-9-11-16(12-10-14)26(29)30/h1-13H,23H2,(H,24,28).
What are the key properties of 2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide?
2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide is sourced from PubChem (CID 18576373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).