N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide

C17H16FN3O2 — CID 2690799

IUPACN-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
SMILESC=C(NNC(=O)c1ccc(F)cc1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C17H16FN3O2/c1-11(14-4-3-5-16(10-14)19-12(2)22)20-21-17(23)13-6-8-15(18)9-7-13/h3-10,20H,1H2,2H3,(H,19,22)(H,21,23)
InChIKeyYQIHQYZEBVXAOG-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.69
Rot. Bonds5

About N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide

N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide (PubChem CID 2690799) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
PubChem CID2690799
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC NameN-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
SMILESC=C(NNC(=O)c1ccc(F)cc1)c1cccc(NC(C)=O)c1
InChIInChI=1S/C17H16FN3O2/c1-11(14-4-3-5-16(10-14)19-12(2)22)20-21-17(23)13-6-8-15(18)9-7-13/h3-10,20H,1H2,2H3,(H,19,22)(H,21,23)
InChIKeyYQIHQYZEBVXAOG-UHFFFAOYSA-N
XLogP2.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.69
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-[3-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2456651
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide
CID 5087058
N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2594236
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-[3-[1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2341738
N-[(3-acetylphenyl)carbamothioyl]-4-fluorobenzamide
CID 2897228
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951
3-acetamido-N-(3,5-difluorophenyl)benzamide
CID 17427227
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771273
N-[4-[(3-acetamidophenyl)methylamino]-4-oxobutyl]-4-fluorobenzamide
CID 47070838
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
CID 6217170

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide (CID 2690799) is N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide is C=C(NNC(=O)c1ccc(F)cc1)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide?
The InChIKey is YQIHQYZEBVXAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11(14-4-3-5-16(10-14)19-12(2)22)20-21-17(23)13-6-8-15(18)9-7-13/h3-10,20H,1H2,2H3,(H,19,22)(H,21,23).
What are the key properties of N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide?
N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide has a molecular weight of 313.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide is sourced from PubChem (CID 2690799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).