N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide

C22H19FN2O2 — CID 53355842

IUPACN'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide
SMILESO=C(C[C@H](NNC(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O2/c23-19-13-11-17(12-14-19)21(26)15-20(16-7-3-1-4-8-16)24-25-22(27)18-9-5-2-6-10-18/h1-14,20,24H,15H2,(H,25,27)/t20-/m0/s1
InChIKeyXPGFWFVUEODFGG-FQEVSTJZSA-N
MW362.40 g/mol
LogP4.07
Rot. Bonds7

About N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide

N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide (PubChem CID 53355842) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide
PubChem CID53355842
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC NameN'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide
SMILESO=C(C[C@H](NNC(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O2/c23-19-13-11-17(12-14-19)21(26)15-20(16-7-3-1-4-8-16)24-25-22(27)18-9-5-2-6-10-18/h1-14,20,24H,15H2,(H,25,27)/t20-/m0/s1
InChIKeyXPGFWFVUEODFGG-FQEVSTJZSA-N
XLogP4.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide
CID 4790819
N'-[(1S)-1,2-diphenylethyl]benzohydrazide
CID 14923144
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422
(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
CID 51695922
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 4789962
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate
CID 12000243
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
CID 4791204
(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742
(3R)-3-(4-bromoanilino)-3-(4-fluorophenyl)-1-phenylpropan-1-one
CID 2222867

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide?
The IUPAC name of N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide (CID 53355842) is N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide.
What is the SMILES notation for N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide?
The canonical SMILES for N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide is O=C(C[C@H](NNC(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide?
The InChIKey is XPGFWFVUEODFGG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H19FN2O2/c23-19-13-11-17(12-14-19)21(26)15-20(16-7-3-1-4-8-16)24-25-22(27)18-9-5-2-6-10-18/h1-14,20,24H,15H2,(H,25,27)/t20-/m0/s1.
What are the key properties of N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide?
N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide has a molecular weight of 362.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide is sourced from PubChem (CID 53355842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).