N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide

C18H18FN3O3 — CID 4789962

IUPACN-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H18FN3O3/c1-12(23)20-16(13-5-3-2-4-6-13)11-17(24)21-22-18(25)14-7-9-15(19)10-8-14/h2-10,16H,11H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeySHQRKDCEAGKTLV-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.85
Rot. Bonds5

About N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide

N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide (PubChem CID 4789962) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
PubChem CID4789962
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H18FN3O3/c1-12(23)20-16(13-5-3-2-4-6-13)11-17(24)21-22-18(25)14-7-9-15(19)10-8-14/h2-10,16H,11H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeySHQRKDCEAGKTLV-UHFFFAOYSA-N
XLogP1.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.85
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-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
CID 4791195
N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide
CID 4790819
4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
CID 4791204
N-[(1S)-3-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 9367485
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132531
N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
CID 9479293
N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 24982102
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-[1-(4-chlorophenyl)-3-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-3-oxopropyl]acetamide
CID 51195838
N-[3-(4-fluorophenyl)-1-(4-hydroxyphenyl)-3-oxopropyl]acetamide
CID 44561095
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 8939651
3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 4792587

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide?
The IUPAC name of N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide (CID 4789962) is N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide?
The canonical SMILES for N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide is CC(=O)NC(CC(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide?
The InChIKey is SHQRKDCEAGKTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-12(23)20-16(13-5-3-2-4-6-13)11-17(24)21-22-18(25)14-7-9-15(19)10-8-14/h2-10,16H,11H2,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide?
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide has a molecular weight of 343.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide is sourced from PubChem (CID 4789962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).