[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium

C17H17Cl2F2N2O+ — CID 9376539

IUPAC[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
SMILESCc1ccc(Cl)c(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C17H16Cl2F2N2O/c1-9-3-5-12(18)17(16(9)19)23-15(24)8-22-10(2)11-4-6-13(20)14(21)7-11/h3-7,10,22H,8H2,1-2H3,(H,23,24)/p+1/t10-/m0/s1
InChIKeyKAICEIODSQRDNL-JTQLQIEISA-O
MW374.24 g/mol
LogP3.84
Rot. Bonds5

About [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium

[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium (PubChem CID 9376539) has the molecular formula C17H17Cl2F2N2O+ and a molecular weight of 374.24 g/mol. Its IUPAC name is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
PubChem CID9376539
Molecular FormulaC17H17Cl2F2N2O+
Molecular Weight374.24 g/mol
Exact Mass373.07
IUPAC Name[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
SMILESCc1ccc(Cl)c(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C17H16Cl2F2N2O/c1-9-3-5-12(18)17(16(9)19)23-15(24)8-22-10(2)11-4-6-13(20)14(21)7-11/h3-7,10,22H,8H2,1-2H3,(H,23,24)/p+1/t10-/m0/s1
InChIKeyKAICEIODSQRDNL-JTQLQIEISA-O
XLogP3.84
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium with MolForge

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Related Compounds

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9375622
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376397
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]azanium
CID 9306887
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335572
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771647
[2-(4-tert-butylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376285
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8638760
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(2,5-dichloroanilino)-2-oxoethyl]azanium
CID 9335625
[(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
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9336001

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium?
The IUPAC name of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium (CID 9376539) is [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium?
The canonical SMILES for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium is Cc1ccc(Cl)c(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1Cl.
What is the InChIKey of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium?
The InChIKey is KAICEIODSQRDNL-JTQLQIEISA-O. The full InChI is InChI=1S/C17H16Cl2F2N2O/c1-9-3-5-12(18)17(16(9)19)23-15(24)8-22-10(2)11-4-6-13(20)14(21)7-11/h3-7,10,22H,8H2,1-2H3,(H,23,24)/p+1/t10-/m0/s1.
What are the key properties of [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium?
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium has a molecular weight of 374.24 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium is sourced from PubChem (CID 9376539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).