N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide

C16H12BrN3O3 — CID 18706783

IUPACN-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide
SMILESO=C(NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)c1ccccc1
InChIInChI=1S/C16H12BrN3O3/c17-11-6-10(8-18-14(21)9-4-2-1-3-5-9)13-12(7-11)19-15(22)16(23)20-13/h1-7H,8H2,(H,18,21)(H,19,22)(H,20,23)
InChIKeyIFHCAXFRPOBMJG-UHFFFAOYSA-N
MW374.19 g/mol
LogP1.91
Rot. Bonds3

About N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide

N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide (PubChem CID 18706783) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide
PubChem CID18706783
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC NameN-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide
SMILESO=C(NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)c1ccccc1
InChIInChI=1S/C16H12BrN3O3/c17-11-6-10(8-18-14(21)9-4-2-1-3-5-9)13-12(7-11)19-15(22)16(23)20-13/h1-7H,8H2,(H,18,21)(H,19,22)(H,20,23)
InChIKeyIFHCAXFRPOBMJG-UHFFFAOYSA-N
XLogP1.91
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide?
The IUPAC name of N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide (CID 18706783) is N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide.
What is the SMILES notation for N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide?
The canonical SMILES for N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide is O=C(NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)c1ccccc1.
What is the InChIKey of N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide?
The InChIKey is IFHCAXFRPOBMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c17-11-6-10(8-18-14(21)9-4-2-1-3-5-9)13-12(7-11)19-15(22)16(23)20-13/h1-7H,8H2,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide?
N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide has a molecular weight of 374.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]benzamide is sourced from PubChem (CID 18706783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).