4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide

C15H11Br2NO2 — CID 603870

IUPAC4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2NO2/c16-12-5-1-10(2-6-12)14(19)9-18-15(20)11-3-7-13(17)8-4-11/h1-8H,9H2,(H,18,20)
InChIKeyKRAHIBFGPCQQTL-UHFFFAOYSA-N
MW397.07 g/mol
LogP3.82
Rot. Bonds4

About 4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide

4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide (PubChem CID 603870) has the molecular formula C15H11Br2NO2 and a molecular weight of 397.07 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide
PubChem CID603870
Molecular FormulaC15H11Br2NO2
Molecular Weight397.07 g/mol
Exact Mass394.92
IUPAC Name4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2NO2/c16-12-5-1-10(2-6-12)14(19)9-18-15(20)11-3-7-13(17)8-4-11/h1-8H,9H2,(H,18,20)
InChIKeyKRAHIBFGPCQQTL-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.07
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide (CID 603870) is 4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide?
The InChIKey is KRAHIBFGPCQQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO2/c16-12-5-1-10(2-6-12)14(19)9-18-15(20)11-3-7-13(17)8-4-11/h1-8H,9H2,(H,18,20).
What are the key properties of 4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide?
4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide has a molecular weight of 397.07 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-bromophenyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 603870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).