[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium

C19H23FN3O2+ — CID 9453505

IUPAC[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)[C@@H](C)C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-13-6-4-5-7-16(13)12-23(3)14(2)18(24)21-22-19(25)15-8-10-17(20)11-9-15/h4-11,14H,12H2,1-3H3,(H,21,24)(H,22,25)/p+1/t14-/m0/s1
InChIKeyVYFLGYSLGOCCDH-AWEZNQCLSA-O
MW344.41 g/mol
LogP1.00
Rot. Bonds5

About [(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium

[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium (PubChem CID 9453505) has the molecular formula C19H23FN3O2+ and a molecular weight of 344.41 g/mol. Its IUPAC name is [(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
PubChem CID9453505
Molecular FormulaC19H23FN3O2+
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH+](C)[C@@H](C)C(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O2/c1-13-6-4-5-7-16(13)12-23(3)14(2)18(24)21-22-19(25)15-8-10-17(20)11-9-15/h4-11,14H,12H2,1-3H3,(H,21,24)(H,22,25)/p+1/t14-/m0/s1
InChIKeyVYFLGYSLGOCCDH-AWEZNQCLSA-O
XLogP1.00
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.00
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

4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide
CID 9453506
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide
CID 9441563
N-[1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78512632
4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
2-methyl-N-[4-[[[2-(2-methylphenyl)acetyl]amino]carbamoyl]phenyl]propanamide
CID 26163659
4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982011
4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide
CID 9340857
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517814
N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8952897
4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
CID 4791204
N',2-bis(4-fluorobenzoyl)benzohydrazide
CID 55554421

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium?
The IUPAC name of [(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium (CID 9453505) is [(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for [(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for [(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium is Cc1ccccc1C[NH+](C)[C@@H](C)C(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of [(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium?
The InChIKey is VYFLGYSLGOCCDH-AWEZNQCLSA-O. The full InChI is InChI=1S/C19H22FN3O2/c1-13-6-4-5-7-16(13)12-23(3)14(2)18(24)21-22-19(25)15-8-10-17(20)11-9-15/h4-11,14H,12H2,1-3H3,(H,21,24)(H,22,25)/p+1/t14-/m0/s1.
What are the key properties of [(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium?
[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium has a molecular weight of 344.41 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 9453505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).