2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide

C24H20N4O4 — CID 16955655

IUPAC2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(N)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12
InChIInChI=1S/C24H20N4O4/c1-2-15-8-3-4-11-18(15)26-24(30)20-19-12-5-6-13-27(19)22(21(20)25)23(29)16-9-7-10-17(14-16)28(31)32/h3-14H,2,25H2,1H3,(H,26,30)
InChIKeyMZXOOMYHBKTUBZ-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.48
Rot. Bonds6

About 2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide

2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide (PubChem CID 16955655) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide
PubChem CID16955655
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(N)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12
InChIInChI=1S/C24H20N4O4/c1-2-15-8-3-4-11-18(15)26-24(30)20-19-12-5-6-13-27(19)22(21(20)25)23(29)16-9-7-10-17(14-16)28(31)32/h3-14H,2,25H2,1H3,(H,26,30)
InChIKeyMZXOOMYHBKTUBZ-UHFFFAOYSA-N
XLogP4.48
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.48
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-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide
CID 18576373
2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide
CID 20994572
2-amino-N-(2-ethylphenyl)-5-nitrobenzamide
CID 62059857
2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide
CID 16955584
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-(2,6-diethylphenyl)-3-nitrobenzamide
CID 731505
2-amino-3-benzoyl-N-(3,4-dichlorophenyl)indolizine-1-carboxamide
CID 18576462
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
N-(2-ethylphenyl)-2,4-dinitrobenzamide
CID 4582085
[2-amino-1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]indolizin-3-yl]-(3-nitrophenyl)methanone
CID 46262324
N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1326817

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide?
The IUPAC name of 2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide (CID 16955655) is 2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide is CCc1ccccc1NC(=O)c1c(N)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12.
What is the InChIKey of 2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide?
The InChIKey is MZXOOMYHBKTUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-2-15-8-3-4-11-18(15)26-24(30)20-19-12-5-6-13-27(19)22(21(20)25)23(29)16-9-7-10-17(14-16)28(31)32/h3-14H,2,25H2,1H3,(H,26,30).
What are the key properties of 2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide?
2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide is sourced from PubChem (CID 16955655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).