[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium

C17H18F2N3O2+ — CID 9375590

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2N3O2/c1-11(13-7-8-14(18)15(19)9-13)20-10-16(23)21-22-17(24)12-5-3-2-4-6-12/h2-9,11,20H,10H2,1H3,(H,21,23)(H,22,24)/p+1/t11-/m1/s1
InChIKeyUDLWTBCGOBJBGG-LLVKDONJSA-O
MW334.35 g/mol
LogP1.05
Rot. Bonds5

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

[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium (PubChem CID 9375590) has the molecular formula C17H18F2N3O2+ and a molecular weight of 334.35 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
PubChem CID9375590
Molecular FormulaC17H18F2N3O2+
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F2N3O2/c1-11(13-7-8-14(18)15(19)9-13)20-10-16(23)21-22-17(24)12-5-3-2-4-6-12/h2-9,11,20H,10H2,1H3,(H,21,23)(H,22,24)/p+1/t11-/m1/s1
InChIKeyUDLWTBCGOBJBGG-LLVKDONJSA-O
XLogP1.05
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897547
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919663
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8638737
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9377059
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9306150
[2-(2-cyanoanilino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376303
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8638760
[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9377062
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
[2-(4-tert-butylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376285
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]azanium
CID 9129569
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376014

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium (CID 9375590) is [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium?
The InChIKey is UDLWTBCGOBJBGG-LLVKDONJSA-O. The full InChI is InChI=1S/C17H17F2N3O2/c1-11(13-7-8-14(18)15(19)9-13)20-10-16(23)21-22-17(24)12-5-3-2-4-6-12/h2-9,11,20H,10H2,1H3,(H,21,23)(H,22,24)/p+1/t11-/m1/s1.
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium?
[2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium has a molecular weight of 334.35 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium is sourced from PubChem (CID 9375590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).