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

C23H23F2N2O+ — CID 9377062

IUPAC[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H22F2N2O/c1-16(18-11-12-20(24)21(25)14-18)26-15-23(28)27-22-10-6-5-9-19(22)13-17-7-3-2-4-8-17/h2-12,14,16,26H,13,15H2,1H3,(H,27,28)/p+1/t16-/m0/s1
InChIKeySAAGZRONKRZEIU-INIZCTEOSA-O
MW381.45 g/mol
LogP3.82
Rot. Bonds7

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

[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium (PubChem CID 9377062) has the molecular formula C23H23F2N2O+ and a molecular weight of 381.45 g/mol. Its IUPAC name is [2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
PubChem CID9377062
Molecular FormulaC23H23F2N2O+
Molecular Weight381.45 g/mol
Exact Mass381.18
IUPAC Name[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H22F2N2O/c1-16(18-11-12-20(24)21(25)14-18)26-15-23(28)27-22-10-6-5-9-19(22)13-17-7-3-2-4-8-17/h2-12,14,16,26H,13,15H2,1H3,(H,27,28)/p+1/t16-/m0/s1
InChIKeySAAGZRONKRZEIU-INIZCTEOSA-O
XLogP3.82
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

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Related Compounds

N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377065
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9377059
[2-(2-cyanoanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376303
[2-(2-benzylanilino)-2-oxoethyl]-[(1R)-1-(2-chlorophenyl)ethyl]azanium
CID 9307291
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]azanium
CID 9376793
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376397
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376014
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8638760
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9375590
N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9045802
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium?
The IUPAC name of [2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium (CID 9377062) is [2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium?
The canonical SMILES for [2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium is C[C@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of [2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium?
The InChIKey is SAAGZRONKRZEIU-INIZCTEOSA-O. The full InChI is InChI=1S/C23H22F2N2O/c1-16(18-11-12-20(24)21(25)14-18)26-15-23(28)27-22-10-6-5-9-19(22)13-17-7-3-2-4-8-17/h2-12,14,16,26H,13,15H2,1H3,(H,27,28)/p+1/t16-/m0/s1.
What are the key properties of [2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium?
[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium has a molecular weight of 381.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium is sourced from PubChem (CID 9377062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).