3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide

C15H14BrNO2 — CID 47180891

IUPAC3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(O)cc1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNO2/c1-17(10-11-5-7-14(18)8-6-11)15(19)12-3-2-4-13(16)9-12/h2-9,18H,10H2,1H3
InChIKeyHIVGYDHWYOFUQO-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.43
Rot. Bonds3

About 3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide

3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide (PubChem CID 47180891) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
PubChem CID47180891
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(O)cc1)C(=O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNO2/c1-17(10-11-5-7-14(18)8-6-11)15(19)12-3-2-4-13(16)9-12/h2-9,18H,10H2,1H3
InChIKeyHIVGYDHWYOFUQO-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
N-[(4-aminophenyl)methyl]-3-bromo-N-methylbenzamide
CID 43458071
3-bromo-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739345
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
N-[(4-bromophenyl)methyl]-3-(chloromethyl)-N-methylbenzamide
CID 43346454
N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide
CID 61416728
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423
N-[(3-bromophenyl)methyl]-4-hydroxy-N,3-dimethylbenzamide
CID 103956433
N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide
CID 61416207
3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
N-[(3-bromophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63849991
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide (CID 47180891) is 3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(O)cc1)C(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is HIVGYDHWYOFUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-17(10-11-5-7-14(18)8-6-11)15(19)12-3-2-4-13(16)9-12/h2-9,18H,10H2,1H3.
What are the key properties of 3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide?
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 320.19 g/mol, XLogP of 3.43, 3 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)methyl]-N-methylbenzamide is sourced from PubChem (CID 47180891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).