[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium

C20H24F2N3O2+ — CID 9369126

IUPAC[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCc1cccc(NC(=O)CNC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)c1C
InChIInChI=1S/C20H23F2N3O2/c1-12-5-4-6-18(13(12)2)25-20(27)11-24-19(26)10-23-14(3)16-8-7-15(21)9-17(16)22/h4-9,14,23H,10-11H2,1-3H3,(H,24,26)(H,25,27)/p+1/t14-/m0/s1
InChIKeyVFXADHKXMVTILT-AWEZNQCLSA-O
MW376.43 g/mol
LogP1.96
Rot. Bonds7

About [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium

[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (PubChem CID 9369126) has the molecular formula C20H24F2N3O2+ and a molecular weight of 376.43 g/mol. Its IUPAC name is [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
PubChem CID9369126
Molecular FormulaC20H24F2N3O2+
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCc1cccc(NC(=O)CNC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)c1C
InChIInChI=1S/C20H23F2N3O2/c1-12-5-4-6-18(13(12)2)25-20(27)11-24-19(26)10-23-14(3)16-8-7-15(21)9-17(16)22/h4-9,14,23H,10-11H2,1-3H3,(H,24,26)(H,25,27)/p+1/t14-/m0/s1
InChIKeyVFXADHKXMVTILT-AWEZNQCLSA-O
XLogP1.96
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9369197
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9369566
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897871
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 26661170
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8689088
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369090
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9370103
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,5-difluorobenzamide
CID 24681848
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]azanium
CID 9369502
2-(2,5-difluoroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 42069511
N-[4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-4-oxobutyl]-2,4-difluorobenzamide
CID 24681937
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9369627

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (CID 9369126) is [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is Cc1cccc(NC(=O)CNC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)c1C.
What is the InChIKey of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The InChIKey is VFXADHKXMVTILT-AWEZNQCLSA-O. The full InChI is InChI=1S/C20H23F2N3O2/c1-12-5-4-6-18(13(12)2)25-20(27)11-24-19(26)10-23-14(3)16-8-7-15(21)9-17(16)22/h4-9,14,23H,10-11H2,1-3H3,(H,24,26)(H,25,27)/p+1/t14-/m0/s1.
What are the key properties of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium has a molecular weight of 376.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9369126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).