1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide

C24H26FN3O3 — CID 91634958

IUPAC1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide
SMILESCCn1c(C(=O)NCC2(C)CCCO2)cc2cc(NC(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C24H26FN3O3/c1-3-28-20-9-8-19(27-22(29)16-6-4-7-18(25)12-16)13-17(20)14-21(28)23(30)26-15-24(2)10-5-11-31-24/h4,6-9,12-14H,3,5,10-11,15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyZZNUHHZTUFWSGC-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.35
Rot. Bonds6

About 1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide

1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide (PubChem CID 91634958) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide
PubChem CID91634958
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide
SMILESCCn1c(C(=O)NCC2(C)CCCO2)cc2cc(NC(=O)c3cccc(F)c3)ccc21
InChIInChI=1S/C24H26FN3O3/c1-3-28-20-9-8-19(27-22(29)16-6-4-7-18(25)12-16)13-17(20)14-21(28)23(30)26-15-24(2)10-5-11-31-24/h4,6-9,12-14H,3,5,10-11,15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyZZNUHHZTUFWSGC-UHFFFAOYSA-N
XLogP4.35
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-1-benzyl-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide
CID 83279407
5-amino-1-[(4-fluorophenyl)methyl]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide
CID 42808866
1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 83288364
N-[4-[(2-methyloxolan-2-yl)methylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 71573238
[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid
CID 131251143
1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide
CID 83282725
5-[(2-chlorobenzoyl)amino]-1-ethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 83282703
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
5-[(4-fluorobenzoyl)amino]-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 91634972
N-(1-ethyl-4-methylpiperidin-4-yl)-3-fluorobenzamide
CID 146322467
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide
CID 26070603

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide?
The IUPAC name of 1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide (CID 91634958) is 1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide?
The canonical SMILES for 1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide is CCn1c(C(=O)NCC2(C)CCCO2)cc2cc(NC(=O)c3cccc(F)c3)ccc21.
What is the InChIKey of 1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide?
The InChIKey is ZZNUHHZTUFWSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-3-28-20-9-8-19(27-22(29)16-6-4-7-18(25)12-16)13-17(20)14-21(28)23(30)26-15-24(2)10-5-11-31-24/h4,6-9,12-14H,3,5,10-11,15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide?
1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(3-fluorobenzoyl)amino]-N-[(2-methyloxolan-2-yl)methyl]indole-2-carboxamide is sourced from PubChem (CID 91634958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).