2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide

C15H14BrNO2 — CID 107735949

IUPAC2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1cccc(Br)c1)c1cccc(O)c1
InChIInChI=1S/C15H14BrNO2/c1-17(13-6-3-7-14(18)10-13)15(19)9-11-4-2-5-12(16)8-11/h2-8,10,18H,9H2,1H3
InChIKeyBRPFKWOPLLKTCA-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.36
Rot. Bonds3

About 2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide

2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide (PubChem CID 107735949) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
PubChem CID107735949
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1cccc(Br)c1)c1cccc(O)c1
InChIInChI=1S/C15H14BrNO2/c1-17(13-6-3-7-14(18)10-13)15(19)9-11-4-2-5-12(16)8-11/h2-8,10,18H,9H2,1H3
InChIKeyBRPFKWOPLLKTCA-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541
2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
CID 60616456
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
2-(3-bromophenyl)-N-methyl-N-[6-(methylamino)-3-pyridinyl]acetamide
CID 115268555
2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
CID 80665086
2-(3-bromophenyl)-N-ethyl-N-phenylacetamide
CID 113098483
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
2-(2,5-dimethylphenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735699
N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide
CID 61416728
2-(2,3-difluorophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107735720
N-(3-hydroxyphenyl)-N-methylpentanamide
CID 107735913
4-(3-bromo-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165040

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide (CID 107735949) is 2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide is CN(C(=O)Cc1cccc(Br)c1)c1cccc(O)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide?
The InChIKey is BRPFKWOPLLKTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-17(13-6-3-7-14(18)10-13)15(19)9-11-4-2-5-12(16)8-11/h2-8,10,18H,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide?
2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide has a molecular weight of 320.19 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(3-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 107735949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).