N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide

C16H18FN3O — CID 62513143

IUPACN-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)NC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN3O/c1-10-3-8-15(20-18)14(9-10)16(21)19-11(2)12-4-6-13(17)7-5-12/h3-9,11,20H,18H2,1-2H3,(H,19,21)
InChIKeyZWIRBXGQMJEJSH-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.91
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide

N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide (PubChem CID 62513143) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide
PubChem CID62513143
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)NC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FN3O/c1-10-3-8-15(20-18)14(9-10)16(21)19-11(2)12-4-6-13(17)7-5-12/h3-9,11,20H,18H2,1-2H3,(H,19,21)
InChIKeyZWIRBXGQMJEJSH-UHFFFAOYSA-N
XLogP2.91
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 81355507
N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide
CID 62660456
2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide
CID 53374350
2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 62512005
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide
CID 75385860
2-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 62511341
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
N-(2-chloro-5-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 107531322

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide (CID 62513143) is N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide is Cc1ccc(NN)c(C(=O)NC(C)c2ccc(F)cc2)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide?
The InChIKey is ZWIRBXGQMJEJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10-3-8-15(20-18)14(9-10)16(21)19-11(2)12-4-6-13(17)7-5-12/h3-9,11,20H,18H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide?
N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide has a molecular weight of 287.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide is sourced from PubChem (CID 62513143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).