4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide

C15H12BrNO3 — CID 7931631

IUPAC4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C15H12BrNO3/c16-12-3-1-2-11(8-12)14(18)9-20-13-6-4-10(5-7-13)15(17)19/h1-8H,9H2,(H2,17,19)
InChIKeyDFKLJEGIWCITQS-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.81
Rot. Bonds5

About 4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide

4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide (PubChem CID 7931631) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide
PubChem CID7931631
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC Name4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C15H12BrNO3/c16-12-3-1-2-11(8-12)14(18)9-20-13-6-4-10(5-7-13)15(17)19/h1-8H,9H2,(H2,17,19)
InChIKeyDFKLJEGIWCITQS-UHFFFAOYSA-N
XLogP2.81
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 23856812
1-(3-bromophenyl)-2-(4-tert-butylphenoxy)ethanone
CID 43412138
1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 43413547
4-[2-(3-bromophenoxy)ethoxy]benzamide
CID 26217003
[2-(3-bromophenyl)-2-oxoethyl] carbamate
CID 67555042
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
3-[2-(3-bromophenyl)-2-oxoethoxy]benzonitrile
CID 60624033
4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide
CID 55665561
1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 8569592
[2-(3-bromophenyl)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 2461783
[2-(3-bromophenyl)-2-oxoethyl] propanoate
CID 174958294
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide (CID 7931631) is 4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide is NC(=O)c1ccc(OCC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide?
The InChIKey is DFKLJEGIWCITQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c16-12-3-1-2-11(8-12)14(18)9-20-13-6-4-10(5-7-13)15(17)19/h1-8H,9H2,(H2,17,19).
What are the key properties of 4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide?
4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide has a molecular weight of 334.17 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 7931631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).