3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide

C16H15Br2NO2 — CID 91676952

IUPAC3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
SMILESCc1c(Br)cc(C(=O)Nc2cccc(C(C)O)c2)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-9-14(17)7-12(8-15(9)18)16(21)19-13-5-3-4-11(6-13)10(2)20/h3-8,10,20H,1-2H3,(H,19,21)
InChIKeyXLOLIILAWRPVRH-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.83
Rot. Bonds3

About 3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide

3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide (PubChem CID 91676952) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is 3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
PubChem CID91676952
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
SMILESCc1c(Br)cc(C(=O)Nc2cccc(C(C)O)c2)cc1Br
InChIInChI=1S/C16H15Br2NO2/c1-9-14(17)7-12(8-15(9)18)16(21)19-13-5-3-4-11(6-13)10(2)20/h3-8,10,20H,1-2H3,(H,19,21)
InChIKeyXLOLIILAWRPVRH-UHFFFAOYSA-N
XLogP4.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391
2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841390
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677
3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 27209859
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676950
N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
CID 100803572
3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 86695860
3-bromo-4-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 107999233
4-ethoxy-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841380
N-[3-(1-hydroxyethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 4099768
2-benzoyl-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841462
3-ethoxy-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 100803554

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide (CID 91676952) is 3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide is Cc1c(Br)cc(C(=O)Nc2cccc(C(C)O)c2)cc1Br.
What is the InChIKey of 3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide?
The InChIKey is XLOLIILAWRPVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-9-14(17)7-12(8-15(9)18)16(21)19-13-5-3-4-11(6-13)10(2)20/h3-8,10,20H,1-2H3,(H,19,21).
What are the key properties of 3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide?
3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide has a molecular weight of 413.11 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 91676952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).