3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide

C14H12BrNO2 — CID 64793442

IUPAC3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide
SMILESCc1c(O)cccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H12BrNO2/c1-9-12(6-3-7-13(9)17)16-14(18)10-4-2-5-11(15)8-10/h2-8,17H,1H3,(H,16,18)
InChIKeyRMLZUHRFJCVTEU-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.72
Rot. Bonds2

About 3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide

3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide (PubChem CID 64793442) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide
PubChem CID64793442
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide
SMILESCc1c(O)cccc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H12BrNO2/c1-9-12(6-3-7-13(9)17)16-14(18)10-4-2-5-11(15)8-10/h2-8,17H,1H3,(H,16,18)
InChIKeyRMLZUHRFJCVTEU-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
3-bromo-N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805603
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
3,5-dichloro-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793609
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
CID 104814581
4-bromo-N-(3-hydroxy-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 64793249
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
3-bromo-N-(2,4,5-trifluorophenyl)benzamide
CID 62816801
3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
CID 104851827
3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide
CID 4101681
3-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 110867241

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide?
The IUPAC name of 3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide (CID 64793442) is 3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide is Cc1c(O)cccc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide?
The InChIKey is RMLZUHRFJCVTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-9-12(6-3-7-13(9)17)16-14(18)10-4-2-5-11(15)8-10/h2-8,17H,1H3,(H,16,18).
What are the key properties of 3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide?
3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide has a molecular weight of 306.16 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide is sourced from PubChem (CID 64793442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).