2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide

C22H15ClFN3O2 — CID 18576467

IUPAC2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
SMILESNc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H15ClFN3O2/c23-14-4-3-5-16(12-14)26-22(29)18-17-6-1-2-11-27(17)20(19(18)25)21(28)13-7-9-15(24)10-8-13/h1-12H,25H2,(H,26,29)
InChIKeyVMIANZAWRZRMJQ-UHFFFAOYSA-N
MW407.83 g/mol
LogP4.80
Rot. Bonds4

About 2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide

2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide (PubChem CID 18576467) has the molecular formula C22H15ClFN3O2 and a molecular weight of 407.83 g/mol. Its IUPAC name is 2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
PubChem CID18576467
Molecular FormulaC22H15ClFN3O2
Molecular Weight407.83 g/mol
Exact Mass407.08
IUPAC Name2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
SMILESNc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H15ClFN3O2/c23-14-4-3-5-16(12-14)26-22(29)18-17-6-1-2-11-27(17)20(19(18)25)21(28)13-7-9-15(24)10-8-13/h1-12H,25H2,(H,26,29)
InChIKeyVMIANZAWRZRMJQ-UHFFFAOYSA-N
XLogP4.80
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 7294632
2-amino-N-(4-ethylphenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576442
2-amino-3-benzoyl-N-(3,4-dichlorophenyl)indolizine-1-carboxamide
CID 18576462
2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide
CID 16955584
2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide
CID 18576373
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-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
N-(3-chlorophenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 7553525
4-amino-3,5-dichloro-N-(3-chlorophenyl)benzamide
CID 82832479
N-(3-chlorophenyl)-2-methyl-3-(2-pyridin-4-ylethyl)indolizine-1-carboxamide
CID 2353203
2-amino-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide?
The IUPAC name of 2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide (CID 18576467) is 2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide is Nc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide?
The InChIKey is VMIANZAWRZRMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O2/c23-14-4-3-5-16(12-14)26-22(29)18-17-6-1-2-11-27(17)20(19(18)25)21(28)13-7-9-15(24)10-8-13/h1-12H,25H2,(H,26,29).
What are the key properties of 2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide?
2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide has a molecular weight of 407.83 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide is sourced from PubChem (CID 18576467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).