2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide

C24H20FN3O3 — CID 18576512

IUPAC2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide
SMILESCCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(F)cc3)c3ccccn23)cc1
InChIInChI=1S/C24H20FN3O3/c1-2-31-18-12-6-15(7-13-18)23(29)22-21(26)20(19-5-3-4-14-28(19)22)24(30)27-17-10-8-16(25)9-11-17/h3-14H,2,26H2,1H3,(H,27,30)
InChIKeyXAUTWYLNDDMNMR-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.54
Rot. Bonds6

About 2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide

2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide (PubChem CID 18576512) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide
PubChem CID18576512
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide
SMILESCCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(F)cc3)c3ccccn23)cc1
InChIInChI=1S/C24H20FN3O3/c1-2-31-18-12-6-15(7-13-18)23(29)22-21(26)20(19-5-3-4-14-28(19)22)24(30)27-17-10-8-16(25)9-11-17/h3-14H,2,26H2,1H3,(H,27,30)
InChIKeyXAUTWYLNDDMNMR-UHFFFAOYSA-N
XLogP4.54
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-ethylphenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576442
2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576467
2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide
CID 18576382
2-amino-N-(3,5-dichlorophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide
CID 20994575
ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate
CID 2387590
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 60593095
4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide
CID 62679243
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide?
The IUPAC name of 2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide (CID 18576512) is 2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide.
What is the SMILES notation for 2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide?
The canonical SMILES for 2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide is CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(F)cc3)c3ccccn23)cc1.
What is the InChIKey of 2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide?
The InChIKey is XAUTWYLNDDMNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-2-31-18-12-6-15(7-13-18)23(29)22-21(26)20(19-5-3-4-14-28(19)22)24(30)27-17-10-8-16(25)9-11-17/h3-14H,2,26H2,1H3,(H,27,30).
What are the key properties of 2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide?
2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide is sourced from PubChem (CID 18576512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).