N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

C17H16ClN3O2 — CID 2872643

IUPACN-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1Cl
InChIInChI=1S/C17H16ClN3O2/c1-10-6-7-11(8-12(10)18)19-16(22)9-15-17(23)21-14-5-3-2-4-13(14)20-15/h2-8,15,20H,9H2,1H3,(H,19,22)(H,21,23)
InChIKeyXFZIRHXRSGOHFQ-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.41
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (PubChem CID 2872643) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
PubChem CID2872643
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
SMILESCc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1Cl
InChIInChI=1S/C17H16ClN3O2/c1-10-6-7-11(8-12(10)18)19-16(22)9-15-17(23)21-14-5-3-2-4-13(14)20-15/h2-8,15,20H,9H2,1H3,(H,19,22)(H,21,23)
InChIKeyXFZIRHXRSGOHFQ-UHFFFAOYSA-N
XLogP3.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide (CID 2872643) is N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is Cc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
The InChIKey is XFZIRHXRSGOHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10-6-7-11(8-12(10)18)19-16(22)9-15-17(23)21-14-5-3-2-4-13(14)20-15/h2-8,15,20H,9H2,1H3,(H,19,22)(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide has a molecular weight of 329.79 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide is sourced from PubChem (CID 2872643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).