[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium

C21H25ClF2N3O2+ — CID 8791833

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1cc(Cl)ccc1C)CC(=O)N[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C21H24ClF2N3O2/c1-4-27(12-21(29)26-19-9-15(22)6-5-13(19)2)11-20(28)25-14(3)17-8-7-16(23)10-18(17)24/h5-10,14H,4,11-12H2,1-3H3,(H,25,28)(H,26,29)/p+1/t14-/m1/s1
InChIKeyKUCSCUVVUOPLOB-CQSZACIVSA-O
MW424.90 g/mol
LogP2.65
Rot. Bonds8

About [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium

[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium (PubChem CID 8791833) has the molecular formula C21H25ClF2N3O2+ and a molecular weight of 424.90 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium
PubChem CID8791833
Molecular FormulaC21H25ClF2N3O2+
Molecular Weight424.90 g/mol
Exact Mass424.16
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1cc(Cl)ccc1C)CC(=O)N[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C21H24ClF2N3O2/c1-4-27(12-21(29)26-19-9-15(22)6-5-13(19)2)11-20(28)25-14(3)17-8-7-16(23)10-18(17)24/h5-10,14H,4,11-12H2,1-3H3,(H,25,28)(H,26,29)/p+1/t14-/m1/s1
InChIKeyKUCSCUVVUOPLOB-CQSZACIVSA-O
XLogP2.65
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.90
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium with MolForge

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Related Compounds

[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium
CID 8791722
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780418
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 8780392
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]azanium
CID 8780465
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8791716
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780428
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9370342
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-ethylazanium
CID 8780492
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9369894
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 43035582
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-ethylazanium
CID 11933392

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium (CID 8791833) is [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)Nc1cc(Cl)ccc1C)CC(=O)N[C@H](C)c1ccc(F)cc1F.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium?
The InChIKey is KUCSCUVVUOPLOB-CQSZACIVSA-O. The full InChI is InChI=1S/C21H24ClF2N3O2/c1-4-27(12-21(29)26-19-9-15(22)6-5-13(19)2)11-20(28)25-14(3)17-8-7-16(23)10-18(17)24/h5-10,14H,4,11-12H2,1-3H3,(H,25,28)(H,26,29)/p+1/t14-/m1/s1.
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium?
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium has a molecular weight of 424.90 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8791833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).