3-bromo-N-(4-propan-2-ylphenyl)benzamide

C16H16BrNO — CID 765231

IUPAC3-bromo-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO/c1-11(2)12-6-8-15(9-7-12)18-16(19)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H,18,19)
InChIKeyYONAZNLTABECRE-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.82
Rot. Bonds3

About 3-bromo-N-(4-propan-2-ylphenyl)benzamide

3-bromo-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 765231) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-bromo-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4-propan-2-ylphenyl)benzamide
PubChem CID765231
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name3-bromo-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C16H16BrNO/c1-11(2)12-6-8-15(9-7-12)18-16(19)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H,18,19)
InChIKeyYONAZNLTABECRE-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-bromo-N-(4-propan-2-ylphenyl)benzamide (CID 765231) is 3-bromo-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(NC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is YONAZNLTABECRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-11(2)12-6-8-15(9-7-12)18-16(19)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(4-propan-2-ylphenyl)benzamide?
3-bromo-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 318.21 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 765231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).