5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide

C15H14BrNO3 — CID 107729726

IUPAC5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide
SMILESCOc1ccc(N(C)C(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H14BrNO3/c1-17(11-4-6-12(20-2)7-5-11)15(19)13-9-10(16)3-8-14(13)18/h3-9,18H,1-2H3
InChIKeyCVCCYQDWJCFAFW-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.44
Rot. Bonds3

About 5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide

5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide (PubChem CID 107729726) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide
PubChem CID107729726
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide
SMILESCOc1ccc(N(C)C(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H14BrNO3/c1-17(11-4-6-12(20-2)7-5-11)15(19)13-9-10(16)3-8-14(13)18/h3-9,18H,1-2H3
InChIKeyCVCCYQDWJCFAFW-UHFFFAOYSA-N
XLogP3.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
4-bromo-2-methoxy-N-methyl-N-(4-methylphenyl)benzamide
CID 78991962
3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 62001887
N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 62003405
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107952297
[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365642
N-(4-cyanophenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 62980842
methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate
CID 122149828
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
5-bromo-2-hydroxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 35979056
2,5-dihydroxy-N-methyl-N-phenylbenzamide
CID 113347039
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide (CID 107729726) is 5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide is COc1ccc(N(C)C(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of 5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide?
The InChIKey is CVCCYQDWJCFAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-17(11-4-6-12(20-2)7-5-11)15(19)13-9-10(16)3-8-14(13)18/h3-9,18H,1-2H3.
What are the key properties of 5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide?
5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide has a molecular weight of 336.19 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 107729726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).