N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide

C18H19FN2O3 — CID 110025321

IUPACN'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide
SMILESCC(O)(CC(=O)NNC(=O)Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-18(24,14-8-3-2-4-9-14)12-17(23)21-20-16(22)11-13-7-5-6-10-15(13)19/h2-10,24H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyOLQHSNDDYAFDMQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.81
Rot. Bonds5

About N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide

N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide (PubChem CID 110025321) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide
PubChem CID110025321
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide
SMILESCC(O)(CC(=O)NNC(=O)Cc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-18(24,14-8-3-2-4-9-14)12-17(23)21-20-16(22)11-13-7-5-6-10-15(13)19/h2-10,24H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyOLQHSNDDYAFDMQ-UHFFFAOYSA-N
XLogP1.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.81
H-Bond Donors ≤ 53
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'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide
CID 110026067
N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide
CID 110026076
N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
CID 110472861
4-[(2-fluorophenyl)methylamino]-2-phenylbutan-2-ol
CID 57153727
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
1-[[2-(2-fluorophenyl)acetyl]amino]-3-phenylthiourea
CID 18269916
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110024507
3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide
CID 110026460
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
2-[[2-(2-fluorophenyl)acetyl]amino]acetic acid
CID 16785853
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
CID 110026341

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide?
The IUPAC name of N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide (CID 110025321) is N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide?
The canonical SMILES for N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide is CC(O)(CC(=O)NNC(=O)Cc1ccccc1F)c1ccccc1.
What is the InChIKey of N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide?
The InChIKey is OLQHSNDDYAFDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(24,14-8-3-2-4-9-14)12-17(23)21-20-16(22)11-13-7-5-6-10-15(13)19/h2-10,24H,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide?
N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide has a molecular weight of 330.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide is sourced from PubChem (CID 110025321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).