[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium

C18H21F2N2O+ — CID 9369566

IUPAC[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
SMILESCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O/c1-11-5-4-6-12(2)18(11)22-17(23)10-21-13(3)15-8-7-14(19)9-16(15)20/h4-9,13,21H,10H2,1-3H3,(H,22,23)/p+1/t13-/m0/s1
InChIKeySJWNRVUXEBSEFB-ZDUSSCGKSA-O
MW319.38 g/mol
LogP2.84
Rot. Bonds5

About [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium

[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium (PubChem CID 9369566) has the molecular formula C18H21F2N2O+ and a molecular weight of 319.38 g/mol. Its IUPAC name is [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
PubChem CID9369566
Molecular FormulaC18H21F2N2O+
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
SMILESCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C18H20F2N2O/c1-11-5-4-6-12(2)18(11)22-17(23)10-21-13(3)15-8-7-14(19)9-16(15)20/h4-9,13,21H,10H2,1-3H3,(H,22,23)/p+1/t13-/m0/s1
InChIKeySJWNRVUXEBSEFB-ZDUSSCGKSA-O
XLogP2.84
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]azanium
CID 9369502
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9369126
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369623
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369546
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369090
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369550
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369639
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
CID 9369456
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9369869
[(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-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9370103
2-(2,4-difluorophenyl)-N-(2,6-dimethylphenyl)acetamide
CID 110488922

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium (CID 9369566) is [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium is Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1F.
What is the InChIKey of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium?
The InChIKey is SJWNRVUXEBSEFB-ZDUSSCGKSA-O. The full InChI is InChI=1S/C18H20F2N2O/c1-11-5-4-6-12(2)18(11)22-17(23)10-21-13(3)15-8-7-14(19)9-16(15)20/h4-9,13,21H,10H2,1-3H3,(H,22,23)/p+1/t13-/m0/s1.
What are the key properties of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium?
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium has a molecular weight of 319.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9369566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).