4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide

C16H16BrNO3 — CID 103885194

IUPAC4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1
InChIInChI=1S/C16H16BrNO3/c1-2-9-21-13-6-4-12(5-7-13)18-16(20)11-3-8-14(17)15(19)10-11/h3-8,10,19H,2,9H2,1H3,(H,18,20)
InChIKeyJKNJDTMQWAPLOA-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.20
Rot. Bonds5

About 4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide

4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide (PubChem CID 103885194) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide
PubChem CID103885194
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1
InChIInChI=1S/C16H16BrNO3/c1-2-9-21-13-6-4-12(5-7-13)18-16(20)11-3-8-14(17)15(19)10-11/h3-8,10,19H,2,9H2,1H3,(H,18,20)
InChIKeyJKNJDTMQWAPLOA-UHFFFAOYSA-N
XLogP4.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide
CID 107952344
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
CID 103956272
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
CID 17067040
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
4-propan-2-yl-N-(4-propoxyphenyl)benzamide
CID 17177442
3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide
CID 115299069

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide (CID 103885194) is 4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2ccc(Br)c(O)c2)cc1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide?
The InChIKey is JKNJDTMQWAPLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-2-9-21-13-6-4-12(5-7-13)18-16(20)11-3-8-14(17)15(19)10-11/h3-8,10,19H,2,9H2,1H3,(H,18,20).
What are the key properties of 4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide?
4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide has a molecular weight of 350.21 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-(4-propoxyphenyl)benzamide is sourced from PubChem (CID 103885194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).