N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide

C17H16ClN3O3 — CID 2681300

IUPACN-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O3/c1-11-5-2-3-8-14(11)17(24)19-10-15(22)20-21-16(23)12-6-4-7-13(18)9-12/h2-9H,10H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyQPQWOBJIVCJBAW-UHFFFAOYSA-N
MW345.79 g/mol
LogP1.84
Rot. Bonds4

About N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide

N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide (PubChem CID 2681300) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide
PubChem CID2681300
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O3/c1-11-5-2-3-8-14(11)17(24)19-10-15(22)20-21-16(23)12-6-4-7-13(18)9-12/h2-9H,10H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyQPQWOBJIVCJBAW-UHFFFAOYSA-N
XLogP1.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide (CID 2681300) is N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is QPQWOBJIVCJBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-11-5-2-3-8-14(11)17(24)19-10-15(22)20-21-16(23)12-6-4-7-13(18)9-12/h2-9H,10H2,1H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 345.79 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 2681300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).