N-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide

C16H13ClFN3O3 — CID 7726312

IUPACN-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C16H13ClFN3O3/c1-9-11(17)6-4-8-13(9)19-15(23)16(24)21-20-14(22)10-5-2-3-7-12(10)18/h2-8H,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyDORXTEHSYJXRPN-UHFFFAOYSA-N
MW349.75 g/mol
LogP2.19
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide

N-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide (PubChem CID 7726312) has the molecular formula C16H13ClFN3O3 and a molecular weight of 349.75 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide
PubChem CID7726312
Molecular FormulaC16H13ClFN3O3
Molecular Weight349.75 g/mol
Exact Mass349.06
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C16H13ClFN3O3/c1-9-11(17)6-4-8-13(9)19-15(23)16(24)21-20-14(22)10-5-2-3-7-12(10)18/h2-8H,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyDORXTEHSYJXRPN-UHFFFAOYSA-N
XLogP2.19
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide (CID 7726312) is N-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide is Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)c1ccccc1F.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is DORXTEHSYJXRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3/c1-9-11(17)6-4-8-13(9)19-15(23)16(24)21-20-14(22)10-5-2-3-7-12(10)18/h2-8H,1H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide?
N-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 349.75 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 7726312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).