3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide

C14H12BrNO2 — CID 28739345

IUPAC3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Br)c1)c1ccc(O)cc1
InChIInChI=1S/C14H12BrNO2/c1-16(12-5-7-13(17)8-6-12)14(18)10-3-2-4-11(15)9-10/h2-9,17H,1H3
InChIKeyXGIOBCYNYQZSSN-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.43
Rot. Bonds2

About 3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide

3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide (PubChem CID 28739345) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
PubChem CID28739345
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Br)c1)c1ccc(O)cc1
InChIInChI=1S/C14H12BrNO2/c1-16(12-5-7-13(17)8-6-12)14(18)10-3-2-4-11(15)9-10/h2-9,17H,1H3
InChIKeyXGIOBCYNYQZSSN-UHFFFAOYSA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 47314027
N-(4-hydroxyphenyl)-3-iodo-N-methylbenzamide
CID 28887982
N-(3-aminophenyl)-3-bromo-N-methylbenzamide
CID 61296754
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891
3-[(3-bromophenyl)-methylcarbamoyl]benzoic acid
CID 115165495
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
4-amino-3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 107734400
4-amino-N-(3-bromophenyl)-N-methylbenzamide
CID 82094901
3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide
CID 113460748
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
3-hydroxy-N-(4-hydroxyphenyl)-4-iodo-N-methylbenzamide
CID 104632622

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of 3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide (CID 28739345) is 3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide is CN(C(=O)c1cccc(Br)c1)c1ccc(O)cc1.
What is the InChIKey of 3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is XGIOBCYNYQZSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-16(12-5-7-13(17)8-6-12)14(18)10-3-2-4-11(15)9-10/h2-9,17H,1H3.
What are the key properties of 3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide?
3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 306.16 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 28739345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).