4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide

C22H27FN4O2 — CID 9441563

IUPAC4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide
SMILESCc1ccccc1CN1CCN([C@H](C)C(=O)NNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4O2/c1-16-5-3-4-6-19(16)15-26-11-13-27(14-12-26)17(2)21(28)24-25-22(29)18-7-9-20(23)10-8-18/h3-10,17H,11-15H2,1-2H3,(H,24,28)(H,25,29)/t17-/m1/s1
InChIKeyHRGGYQTYXJNMON-QGZVFWFLSA-N
MW398.48 g/mol
LogP2.10
Rot. Bonds5

About 4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide

4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide (PubChem CID 9441563) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide
PubChem CID9441563
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide
SMILESCc1ccccc1CN1CCN([C@H](C)C(=O)NNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4O2/c1-16-5-3-4-6-19(16)15-26-11-13-27(14-12-26)17(2)21(28)24-25-22(29)18-7-9-20(23)10-8-18/h3-10,17H,11-15H2,1-2H3,(H,24,28)(H,25,29)/t17-/m1/s1
InChIKeyHRGGYQTYXJNMON-QGZVFWFLSA-N
XLogP2.10
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 9162523
N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432399
(2S)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9257224
[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9453505
4-fluoro-N'-[(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]propanoyl]benzohydrazide
CID 9453506
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 86923486
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
(2S)-N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9257137
N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432378
N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 38159048
2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 78754211
(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide (CID 9441563) is 4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide is Cc1ccccc1CN1CCN([C@H](C)C(=O)NNC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide?
The InChIKey is HRGGYQTYXJNMON-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-16-5-3-4-6-19(16)15-26-11-13-27(14-12-26)17(2)21(28)24-25-22(29)18-7-9-20(23)10-8-18/h3-10,17H,11-15H2,1-2H3,(H,24,28)(H,25,29)/t17-/m1/s1.
What are the key properties of 4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide?
4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide has a molecular weight of 398.48 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide is sourced from PubChem (CID 9441563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).