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

C15H14BrNO2 — CID 115671047

IUPAC3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(O)cc2)cc1Br
InChIInChI=1S/C15H14BrNO2/c1-10-2-5-12(8-14(10)16)15(19)17-9-11-3-6-13(18)7-4-11/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyJAKULGZNXXRGGS-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.39
Rot. Bonds3

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

3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide (PubChem CID 115671047) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide
PubChem CID115671047
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(O)cc2)cc1Br
InChIInChI=1S/C15H14BrNO2/c1-10-2-5-12(8-14(10)16)15(19)17-9-11-3-6-13(18)7-4-11/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyJAKULGZNXXRGGS-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminophenyl)methyl]-3-bromo-4-methylbenzamide
CID 81470387
3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide
CID 81459565
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 47421954
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide (CID 115671047) is 3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc(O)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide?
The InChIKey is JAKULGZNXXRGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-2-5-12(8-14(10)16)15(19)17-9-11-3-6-13(18)7-4-11/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of 3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide?
3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide has a molecular weight of 320.19 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 115671047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).