2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide

C23H17ClN4O4 — CID 18576502

IUPAC2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccccc12
InChIInChI=1S/C23H17ClN4O4/c1-13-5-8-15(24)12-17(13)26-23(30)19-18-4-2-3-11-27(18)21(20(19)25)22(29)14-6-9-16(10-7-14)28(31)32/h2-12H,25H2,1H3,(H,26,30)
InChIKeyHHCXLYAPZLFGLW-UHFFFAOYSA-N
MW448.87 g/mol
LogP4.87
Rot. Bonds5

About 2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide

2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide (PubChem CID 18576502) has the molecular formula C23H17ClN4O4 and a molecular weight of 448.87 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide
PubChem CID18576502
Molecular FormulaC23H17ClN4O4
Molecular Weight448.87 g/mol
Exact Mass448.09
IUPAC Name2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccccc12
InChIInChI=1S/C23H17ClN4O4/c1-13-5-8-15(24)12-17(13)26-23(30)19-18-4-2-3-11-27(18)21(20(19)25)22(29)14-6-9-16(10-7-14)28(31)32/h2-12H,25H2,1H3,(H,26,30)
InChIKeyHHCXLYAPZLFGLW-UHFFFAOYSA-N
XLogP4.87
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.87
LogP ≤ 54.87
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-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide
CID 18576373
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-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576467
[2,3-bis(4-nitrobenzoyl)indolizin-1-yl]-(4-nitrophenyl)methanone
CID 10030781
2-amino-3-benzoyl-N-(3,4-dichlorophenyl)indolizine-1-carboxamide
CID 18576462
4-amino-N-(5-chloro-2-methylphenyl)-3-nitrobenzamide
CID 7551668
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
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
(4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40572815
2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576437

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide?
The IUPAC name of 2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide (CID 18576502) is 2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccccc12.
What is the InChIKey of 2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide?
The InChIKey is HHCXLYAPZLFGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O4/c1-13-5-8-15(24)12-17(13)26-23(30)19-18-4-2-3-11-27(18)21(20(19)25)22(29)14-6-9-16(10-7-14)28(31)32/h2-12H,25H2,1H3,(H,26,30).
What are the key properties of 2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide?
2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide has a molecular weight of 448.87 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide is sourced from PubChem (CID 18576502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).