4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide

C15H11BrN2O3 — CID 103956272

IUPAC4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
SMILESN#CCOc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1
InChIInChI=1S/C15H11BrN2O3/c16-13-6-1-10(9-14(13)19)15(20)18-11-2-4-12(5-3-11)21-8-7-17/h1-6,9,19H,8H2,(H,18,20)
InChIKeyCAIRZUJXTJXTMS-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.31
Rot. Bonds4

About 4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide

4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide (PubChem CID 103956272) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
PubChem CID103956272
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
SMILESN#CCOc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1
InChIInChI=1S/C15H11BrN2O3/c16-13-6-1-10(9-14(13)19)15(20)18-11-2-4-12(5-3-11)21-8-7-17/h1-6,9,19H,8H2,(H,18,20)
InChIKeyCAIRZUJXTJXTMS-UHFFFAOYSA-N
XLogP3.31
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
CID 43369113
3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103841565
3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103907443
N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
CID 107703130
4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide
CID 103885194
4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
CID 30873503
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 55372952
4-bromo-N-[4-(cyanomethoxy)phenyl]-2-methylbenzamide
CID 43629917
4-bromo-3-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 80973651

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide (CID 103956272) is 4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide is N#CCOc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1.
What is the InChIKey of 4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide?
The InChIKey is CAIRZUJXTJXTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-13-6-1-10(9-14(13)19)15(20)18-11-2-4-12(5-3-11)21-8-7-17/h1-6,9,19H,8H2,(H,18,20).
What are the key properties of 4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide?
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide has a molecular weight of 347.17 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide is sourced from PubChem (CID 103956272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).