2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide

C15H13Br2NO2 — CID 11841390

IUPAC2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
SMILESCC(O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-9(19)10-3-2-4-12(7-10)18-15(20)13-8-11(16)5-6-14(13)17/h2-9,19H,1H3,(H,18,20)
InChIKeyZVRBXEOJODKIFK-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.52
Rot. Bonds3

About 2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide

2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide (PubChem CID 11841390) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
PubChem CID11841390
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
SMILESCC(O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-9(19)10-3-2-4-12(7-10)18-15(20)13-8-11(16)5-6-14(13)17/h2-9,19H,1H3,(H,18,20)
InChIKeyZVRBXEOJODKIFK-UHFFFAOYSA-N
XLogP4.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.52
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-methylphenyl)benzamide
CID 1019389
2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284
3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676952
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 114373061
2,5-dichloro-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 91676947
2,5-dibromo-N-(3-cyanophenyl)benzamide
CID 114369410
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 114374231
1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341059
2-benzoyl-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841462
1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61339972

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide (CID 11841390) is 2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide is CC(O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide?
The InChIKey is ZVRBXEOJODKIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-9(19)10-3-2-4-12(7-10)18-15(20)13-8-11(16)5-6-14(13)17/h2-9,19H,1H3,(H,18,20).
What are the key properties of 2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide?
2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide has a molecular weight of 399.08 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide is sourced from PubChem (CID 11841390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).