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

C15H14BrNO2 — CID 81112261

IUPAC2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(CO)cc2)c1
InChIInChI=1S/C15H14BrNO2/c1-10-2-7-14(16)13(8-10)15(19)17-12-5-3-11(9-18)4-6-12/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyPBODJGGOGDWJNE-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.50
Rot. Bonds3

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

2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide (PubChem CID 81112261) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
PubChem CID81112261
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(CO)cc2)c1
InChIInChI=1S/C15H14BrNO2/c1-10-2-7-14(16)13(8-10)15(19)17-12-5-3-11(9-18)4-6-12/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyPBODJGGOGDWJNE-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[4-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 80973223
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
2-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64792802
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
CID 80973481
2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
CID 81112809
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide (CID 81112261) is 2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2ccc(CO)cc2)c1.
What is the InChIKey of 2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide?
The InChIKey is PBODJGGOGDWJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-2-7-14(16)13(8-10)15(19)17-12-5-3-11(9-18)4-6-12/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of 2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide?
2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide has a molecular weight of 320.19 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide is sourced from PubChem (CID 81112261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).