4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide

C17H15ClFN3O3 — CID 4795367

IUPAC4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFN3O3/c18-13-5-1-11(2-6-13)16(24)20-10-9-15(23)21-22-17(25)12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,20,24)(H,21,23)(H,22,25)
InChIKeyRKEQFPUHJUOBJT-UHFFFAOYSA-N
MW363.78 g/mol
LogP2.06
Rot. Bonds5

About 4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide

4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 4795367) has the molecular formula C17H15ClFN3O3 and a molecular weight of 363.78 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
PubChem CID4795367
Molecular FormulaC17H15ClFN3O3
Molecular Weight363.78 g/mol
Exact Mass363.08
IUPAC Name4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15ClFN3O3/c18-13-5-1-11(2-6-13)16(24)20-10-9-15(23)21-22-17(25)12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,20,24)(H,21,23)(H,22,25)
InChIKeyRKEQFPUHJUOBJT-UHFFFAOYSA-N
XLogP2.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.06
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

4-chloro-N-[3-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-3-oxopropyl]benzamide
CID 8942228
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-4-nitrobenzamide
CID 2678141
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 4805945
4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9220953
N-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]-4-chlorobenzamide
CID 4789099
4-chloro-N-[4-[2-(4-fluorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27256594
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
4-chloro-N-[3-[2-[2-(3,5-dimethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 9470850

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide (CID 4795367) is 4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is RKEQFPUHJUOBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O3/c18-13-5-1-11(2-6-13)16(24)20-10-9-15(23)21-22-17(25)12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of 4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 363.78 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 4795367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).