[(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium

C17H18ClF2N2O2+ — CID 8598301

IUPAC[(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccccc1Cl
InChIInChI=1S/C17H17ClF2N2O2/c1-11(12-6-2-3-7-13(12)18)21-10-16(23)22-14-8-4-5-9-15(14)24-17(19)20/h2-9,11,17,21H,10H2,1H3,(H,22,23)/p+1/t11-/m0/s1
InChIKeyZDSFTEQWGDLFPN-NSHDSACASA-O
MW355.79 g/mol
LogP3.20
Rot. Bonds7

About [(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium

[(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium (PubChem CID 8598301) has the molecular formula C17H18ClF2N2O2+ and a molecular weight of 355.79 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium
PubChem CID8598301
Molecular FormulaC17H18ClF2N2O2+
Molecular Weight355.79 g/mol
Exact Mass355.10
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccccc1Cl
InChIInChI=1S/C17H17ClF2N2O2/c1-11(12-6-2-3-7-13(12)18)21-10-16(23)22-14-8-4-5-9-15(14)24-17(19)20/h2-9,11,17,21H,10H2,1H3,(H,22,23)/p+1/t11-/m0/s1
InChIKeyZDSFTEQWGDLFPN-NSHDSACASA-O
XLogP3.20
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium
CID 9307194
[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9307286
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9307077
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]azanium
CID 8710340
[2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307291
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]azanium
CID 8598976
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium
CID 9307131
[(1R)-1-(2-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9306915
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307053
2-[2-(2-chlorophenoxy)anilino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 35822670
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 9253961
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]azanium
CID 9306887

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium (CID 8598301) is [(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium is C[C@H]([NH2+]CC(=O)Nc1ccccc1OC(F)F)c1ccccc1Cl.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium?
The InChIKey is ZDSFTEQWGDLFPN-NSHDSACASA-O. The full InChI is InChI=1S/C17H17ClF2N2O2/c1-11(12-6-2-3-7-13(12)18)21-10-16(23)22-14-8-4-5-9-15(14)24-17(19)20/h2-9,11,17,21H,10H2,1H3,(H,22,23)/p+1/t11-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium?
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium has a molecular weight of 355.79 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8598301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).