4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide

C13H16BrNO2 — CID 62861367

IUPAC4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H16BrNO2/c1-15(8-9-3-2-4-9)13(17)11-6-5-10(14)7-12(11)16/h5-7,9,16H,2-4,8H2,1H3
InChIKeyJOJVAKYANWLFSM-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.03
Rot. Bonds3

About 4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide

4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide (PubChem CID 62861367) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
PubChem CID62861367
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H16BrNO2/c1-15(8-9-3-2-4-9)13(17)11-6-5-10(14)7-12(11)16/h5-7,9,16H,2-4,8H2,1H3
InChIKeyJOJVAKYANWLFSM-UHFFFAOYSA-N
XLogP3.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-hydroxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63234296
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509
2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
CID 107075183
5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107729991
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
N-(cyclobutylmethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829035
4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
CID 47435885
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide?
The IUPAC name of 4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide (CID 62861367) is 4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide is CN(CC1CCC1)C(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide?
The InChIKey is JOJVAKYANWLFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-15(8-9-3-2-4-9)13(17)11-6-5-10(14)7-12(11)16/h5-7,9,16H,2-4,8H2,1H3.
What are the key properties of 4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide?
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide has a molecular weight of 298.18 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 62861367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).