2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide

C16H16BrNO2 — CID 28739954

IUPAC2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccccc1Br)c1cc(O)ccc1C
InChIInChI=1S/C16H16BrNO2/c1-3-18(15-10-12(19)9-8-11(15)2)16(20)13-6-4-5-7-14(13)17/h4-10,19H,3H2,1-2H3
InChIKeyIROJHGDTEVTMLC-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.13
Rot. Bonds3

About 2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide

2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide (PubChem CID 28739954) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
PubChem CID28739954
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccccc1Br)c1cc(O)ccc1C
InChIInChI=1S/C16H16BrNO2/c1-3-18(15-10-12(19)9-8-11(15)2)16(20)13-6-4-5-7-14(13)17/h4-10,19H,3H2,1-2H3
InChIKeyIROJHGDTEVTMLC-UHFFFAOYSA-N
XLogP4.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide?
The IUPAC name of 2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide (CID 28739954) is 2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide is CCN(C(=O)c1ccccc1Br)c1cc(O)ccc1C.
What is the InChIKey of 2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide?
The InChIKey is IROJHGDTEVTMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-3-18(15-10-12(19)9-8-11(15)2)16(20)13-6-4-5-7-14(13)17/h4-10,19H,3H2,1-2H3.
What are the key properties of 2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide?
2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide has a molecular weight of 334.21 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide is sourced from PubChem (CID 28739954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).