N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide

C17H19FN2O2 — CID 110026076

IUPACN'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide
SMILESCc1ccc(F)c(NNC(=O)CC(C)(O)c2ccccc2)c1
InChIInChI=1S/C17H19FN2O2/c1-12-8-9-14(18)15(10-12)19-20-16(21)11-17(2,22)13-6-4-3-5-7-13/h3-10,19,22H,11H2,1-2H3,(H,20,21)
InChIKeyRBOWXFZGDJDQCY-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.88
Rot. Bonds5

About N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide

N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide (PubChem CID 110026076) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide.

Molecular Properties

Compound NameN'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide
PubChem CID110026076
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide
SMILESCc1ccc(F)c(NNC(=O)CC(C)(O)c2ccccc2)c1
InChIInChI=1S/C17H19FN2O2/c1-12-8-9-14(18)15(10-12)19-20-16(21)11-17(2,22)13-6-4-3-5-7-13/h3-10,19,22H,11H2,1-2H3,(H,20,21)
InChIKeyRBOWXFZGDJDQCY-UHFFFAOYSA-N
XLogP2.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.88
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

1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol
CID 62375666
N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide
CID 110025321
3-hydroxy-N'-(3-methylquinolin-2-yl)-3-phenylbutanehydrazide
CID 110026466
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110024507
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024305
N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024296
3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide
CID 110026460
5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
CID 110024808
N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide
CID 110025284
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-[3-[2-[2-fluoro-5-(trifluoromethyl)phenyl]hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
CID 166182254
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide?
The IUPAC name of N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide (CID 110026076) is N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide.
What is the SMILES notation for N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide?
The canonical SMILES for N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide is Cc1ccc(F)c(NNC(=O)CC(C)(O)c2ccccc2)c1.
What is the InChIKey of N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide?
The InChIKey is RBOWXFZGDJDQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12-8-9-14(18)15(10-12)19-20-16(21)11-17(2,22)13-6-4-3-5-7-13/h3-10,19,22H,11H2,1-2H3,(H,20,21).
What are the key properties of N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide?
N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide has a molecular weight of 302.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide is sourced from PubChem (CID 110026076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).