2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide

C21H16BrNO3 — CID 1218685

IUPAC2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide
SMILESO=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H16BrNO3/c22-16-12-10-15(11-13-16)19(24)14-26-20-9-5-4-8-18(20)21(25)23-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,25)
InChIKeyXQJSVJNENXIBSM-UHFFFAOYSA-N
MW410.27 g/mol
LogP4.96
Rot. Bonds6

About 2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide

2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 1218685) has the molecular formula C21H16BrNO3 and a molecular weight of 410.27 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide
PubChem CID1218685
Molecular FormulaC21H16BrNO3
Molecular Weight410.27 g/mol
Exact Mass409.03
IUPAC Name2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide
SMILESO=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C21H16BrNO3/c22-16-12-10-15(11-13-16)19(24)14-26-20-9-5-4-8-18(20)21(25)23-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,25)
InChIKeyXQJSVJNENXIBSM-UHFFFAOYSA-N
XLogP4.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide (CID 1218685) is 2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide is O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is XQJSVJNENXIBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrNO3/c22-16-12-10-15(11-13-16)19(24)14-26-20-9-5-4-8-18(20)21(25)23-17-6-2-1-3-7-17/h1-13H,14H2,(H,23,25).
What are the key properties of 2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide?
2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 410.27 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 1218685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).