5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide

C16H16BrNO2 — CID 107231263

IUPAC5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C16H16BrNO2/c1-11-2-7-14(17)8-15(11)16(20)18-9-12-3-5-13(10-19)6-4-12/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyMKNIHVKLMLNFFM-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.18
Rot. Bonds4

About 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide

5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide (PubChem CID 107231263) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide
PubChem CID107231263
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCc1ccc(CO)cc1
InChIInChI=1S/C16H16BrNO2/c1-11-2-7-14(17)8-15(11)16(20)18-9-12-3-5-13(10-19)6-4-12/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyMKNIHVKLMLNFFM-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylbenzamide
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5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
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5-bromo-2-methyl-N-(2-methylpropyl)benzamide
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5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
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5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide (CID 107231263) is 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NCc1ccc(CO)cc1.
What is the InChIKey of 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide?
The InChIKey is MKNIHVKLMLNFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-2-7-14(17)8-15(11)16(20)18-9-12-3-5-13(10-19)6-4-12/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide?
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide has a molecular weight of 334.21 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 107231263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).