N-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide

C17H18FN3O2 — CID 15138

IUPACN-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide
SMILESO=C(CCNNC(=O)c1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C17H18FN3O2/c18-15-8-6-14(7-9-15)17(23)21-20-11-10-16(22)19-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2,(H,19,22)(H,21,23)
InChIKeyKGWKZBVSZLFNJD-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.77
Rot. Bonds7

About N-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide

N-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide (PubChem CID 15138) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide
PubChem CID15138
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide
SMILESO=C(CCNNC(=O)c1ccc(F)cc1)NCc1ccccc1
InChIInChI=1S/C17H18FN3O2/c18-15-8-6-14(7-9-15)17(23)21-20-11-10-16(22)19-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2,(H,19,22)(H,21,23)
InChIKeyKGWKZBVSZLFNJD-UHFFFAOYSA-N
XLogP1.77
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide?
The IUPAC name of N-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide (CID 15138) is N-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide.
What is the SMILES notation for N-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide?
The canonical SMILES for N-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide is O=C(CCNNC(=O)c1ccc(F)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide?
The InChIKey is KGWKZBVSZLFNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-15-8-6-14(7-9-15)17(23)21-20-11-10-16(22)19-12-13-4-2-1-3-5-13/h1-9,20H,10-12H2,(H,19,22)(H,21,23).
What are the key properties of N-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide?
N-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide has a molecular weight of 315.35 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(4-fluorobenzoyl)hydrazinyl]propanamide is sourced from PubChem (CID 15138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).