[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium

C18H20ClF2N2O+ — CID 9375622

IUPAC[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
SMILESCc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C18H19ClF2N2O/c1-10-6-11(2)18(14(19)7-10)23-17(24)9-22-12(3)13-4-5-15(20)16(21)8-13/h4-8,12,22H,9H2,1-3H3,(H,23,24)/p+1/t12-/m1/s1
InChIKeySDTHKXDLSUKEIE-GFCCVEGCSA-O
MW353.82 g/mol
LogP3.50
Rot. Bonds5

About [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium (PubChem CID 9375622) has the molecular formula C18H20ClF2N2O+ and a molecular weight of 353.82 g/mol. Its IUPAC name is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
PubChem CID9375622
Molecular FormulaC18H20ClF2N2O+
Molecular Weight353.82 g/mol
Exact Mass353.12
IUPAC Name[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
SMILESCc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)c(Cl)c1
InChIInChI=1S/C18H19ClF2N2O/c1-10-6-11(2)18(14(19)7-10)23-17(24)9-22-12(3)13-4-5-15(20)16(21)8-13/h4-8,12,22H,9H2,1-3H3,(H,23,24)/p+1/t12-/m1/s1
InChIKeySDTHKXDLSUKEIE-GFCCVEGCSA-O
XLogP3.50
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.82
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium with MolForge

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Related Compounds

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376539
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376397
N'-(2-chloro-4,6-dimethylphenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108955386
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide
CID 16598723
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335785
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335572
[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9001171
[2-(4-tert-butylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376285
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8638737
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9336391

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium?
The IUPAC name of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium (CID 9375622) is [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium?
The canonical SMILES for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium is Cc1cc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2)c(Cl)c1.
What is the InChIKey of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium?
The InChIKey is SDTHKXDLSUKEIE-GFCCVEGCSA-O. The full InChI is InChI=1S/C18H19ClF2N2O/c1-10-6-11(2)18(14(19)7-10)23-17(24)9-22-12(3)13-4-5-15(20)16(21)8-13/h4-8,12,22H,9H2,1-3H3,(H,23,24)/p+1/t12-/m1/s1.
What are the key properties of [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium?
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium has a molecular weight of 353.82 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium is sourced from PubChem (CID 9375622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).