3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide

C15H14BrNO2 — CID 104852214

IUPAC3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cccc(CO)c2)c1
InChIInChI=1S/C15H14BrNO2/c1-10-5-12(8-13(16)6-10)15(19)17-14-4-2-3-11(7-14)9-18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyBQRGHFOUQXDZDZ-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.50
Rot. Bonds3

About 3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide

3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide (PubChem CID 104852214) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
PubChem CID104852214
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cccc(CO)c2)c1
InChIInChI=1S/C15H14BrNO2/c1-10-5-12(8-13(16)6-10)15(19)17-14-4-2-3-11(7-14)9-18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyBQRGHFOUQXDZDZ-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

Analyze 3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[3-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 104852189
3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 86695860
3-bromo-N-(3-cyanophenyl)-5-methylbenzamide
CID 113460579
3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 104852044
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide
CID 110910883
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide
CID 112701135
4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide
CID 111104838

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide (CID 104852214) is 3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2cccc(CO)c2)c1.
What is the InChIKey of 3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide?
The InChIKey is BQRGHFOUQXDZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-5-12(8-13(16)6-10)15(19)17-14-4-2-3-11(7-14)9-18/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of 3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide?
3-bromo-N-[3-(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 3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide is sourced from PubChem (CID 104852214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).