[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium

C19H23F2N2O+ — CID 8638760

IUPAC[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
SMILESCc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N2O/c1-13-5-3-4-6-15(13)9-10-22-19(24)12-23-14(2)16-7-8-17(20)18(21)11-16/h3-8,11,14,23H,9-10,12H2,1-2H3,(H,22,24)/p+1/t14-/m0/s1
InChIKeyONJDUTBGLKXMFO-AWEZNQCLSA-O
MW333.40 g/mol
LogP2.26
Rot. Bonds7

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

[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium (PubChem CID 8638760) has the molecular formula C19H23F2N2O+ and a molecular weight of 333.40 g/mol. Its IUPAC name is [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
PubChem CID8638760
Molecular FormulaC19H23F2N2O+
Molecular Weight333.40 g/mol
Exact Mass333.18
IUPAC Name[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
SMILESCc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N2O/c1-13-5-3-4-6-15(13)9-10-22-19(24)12-23-14(2)16-7-8-17(20)18(21)11-16/h3-8,11,14,23H,9-10,12H2,1-2H3,(H,22,24)/p+1/t14-/m0/s1
InChIKeyONJDUTBGLKXMFO-AWEZNQCLSA-O
XLogP2.26
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8599384
[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9377062
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9375590
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8599402
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium
CID 8599438
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9377059
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376539
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9134156
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8638816
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8865900
[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 9001761

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium (CID 8638760) is [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium is Cc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1.
What is the InChIKey of [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
The InChIKey is ONJDUTBGLKXMFO-AWEZNQCLSA-O. The full InChI is InChI=1S/C19H22F2N2O/c1-13-5-3-4-6-15(13)9-10-22-19(24)12-23-14(2)16-7-8-17(20)18(21)11-16/h3-8,11,14,23H,9-10,12H2,1-2H3,(H,22,24)/p+1/t14-/m0/s1.
What are the key properties of [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium has a molecular weight of 333.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8638760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).