[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium

C22H27FN3O2+ — CID 9465860

IUPAC[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C22H26FN3O2/c1-2-26(14-21(27)24-13-16-6-9-19(23)10-7-16)15-22(28)25-20-11-8-17-4-3-5-18(17)12-20/h6-12H,2-5,13-15H2,1H3,(H,24,27)(H,25,28)/p+1
InChIKeyABIXNCSIXWBUEW-UHFFFAOYSA-O
MW384.48 g/mol
LogP1.47
Rot. Bonds8

About [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 9465860) has the molecular formula C22H27FN3O2+ and a molecular weight of 384.48 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
PubChem CID9465860
Molecular FormulaC22H27FN3O2+
Molecular Weight384.48 g/mol
Exact Mass384.21
IUPAC Name[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C22H26FN3O2/c1-2-26(14-21(27)24-13-16-6-9-19(23)10-7-16)15-22(28)25-20-11-8-17-4-3-5-18(17)12-20/h6-12H,2-5,13-15H2,1H3,(H,24,27)(H,25,28)/p+1
InChIKeyABIXNCSIXWBUEW-UHFFFAOYSA-O
XLogP1.47
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium
CID 9465124
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
[2-(2-acetylanilino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8010680
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium
CID 8779933
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 9363347
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897
N-[(4-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9393455
[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium
CID 8947914
(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 2470456
2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium
CID 9463870
ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9025698

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium (CID 9465860) is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium is CC[NH+](CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is ABIXNCSIXWBUEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26FN3O2/c1-2-26(14-21(27)24-13-16-6-9-19(23)10-7-16)15-22(28)25-20-11-8-17-4-3-5-18(17)12-20/h6-12H,2-5,13-15H2,1H3,(H,24,27)(H,25,28)/p+1.
What are the key properties of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium?
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 384.48 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9465860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).