N-benzyl-3,5-dibromo-2-hydroxybenzamide

C14H11Br2NO2 — CID 10916003

IUPACN-benzyl-3,5-dibromo-2-hydroxybenzamide
SMILESO=C(NCc1ccccc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H11Br2NO2/c15-10-6-11(13(18)12(16)7-10)14(19)17-8-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,17,19)
InChIKeyYUTVUSIOMFDJRA-UHFFFAOYSA-N
MW385.06 g/mol
LogP3.85
Rot. Bonds3

About N-benzyl-3,5-dibromo-2-hydroxybenzamide

N-benzyl-3,5-dibromo-2-hydroxybenzamide (PubChem CID 10916003) has the molecular formula C14H11Br2NO2 and a molecular weight of 385.06 g/mol. Its IUPAC name is N-benzyl-3,5-dibromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-benzyl-3,5-dibromo-2-hydroxybenzamide
PubChem CID10916003
Molecular FormulaC14H11Br2NO2
Molecular Weight385.06 g/mol
Exact Mass382.92
IUPAC NameN-benzyl-3,5-dibromo-2-hydroxybenzamide
SMILESO=C(NCc1ccccc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H11Br2NO2/c15-10-6-11(13(18)12(16)7-10)14(19)17-8-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,17,19)
InChIKeyYUTVUSIOMFDJRA-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4',5-Tribromosalicylanilide
CID 14868
N-((1R)-1-(4-bromophenyl)ethyl)-5-fluoro-2-hydroxybenzamide
CID 5496910
Metabromsalan
CID 17404
5-Bromo-N-[3-(dimethylamino)propyl]-2-hydroxybenzamide
CID 547207
3,5-Dibromosalicylamide
CID 352428
N-Benzyl-2-hydroxybenzamide
CID 561227
2-Hydroxy-n-(2-phenylethyl)benzamide
CID 222726
N-[3-(4-bromophenyl)acryloyl]-2-hydroxybenzamide
CID 883304
N-[3-(4-bromophenyl)prop-2-enoyl]-2-hydroxybenzamide
CID 883303
Benzamide, 5-bromo-N,3-dimethyl-2-hydroxy-
CID 38708
Benzamide, 5-bromo-N-ethyl-2-hydroxy-3-methyl-
CID 38709
Bensalan
CID 27449

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dibromo-2-hydroxybenzamide?
The IUPAC name of N-benzyl-3,5-dibromo-2-hydroxybenzamide (CID 10916003) is N-benzyl-3,5-dibromo-2-hydroxybenzamide.
What is the SMILES notation for N-benzyl-3,5-dibromo-2-hydroxybenzamide?
The canonical SMILES for N-benzyl-3,5-dibromo-2-hydroxybenzamide is O=C(NCc1ccccc1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of N-benzyl-3,5-dibromo-2-hydroxybenzamide?
The InChIKey is YUTVUSIOMFDJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO2/c15-10-6-11(13(18)12(16)7-10)14(19)17-8-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,17,19).
What are the key properties of N-benzyl-3,5-dibromo-2-hydroxybenzamide?
N-benzyl-3,5-dibromo-2-hydroxybenzamide has a molecular weight of 385.06 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dibromo-2-hydroxybenzamide is sourced from PubChem (CID 10916003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).