3-bromo-4-methyl-N-(1-phenylethyl)benzamide

C16H16BrNO — CID 2924515

IUPAC3-bromo-4-methyl-N-(1-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccccc2)cc1Br
InChIInChI=1S/C16H16BrNO/c1-11-8-9-14(10-15(11)17)16(19)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)
InChIKeyOPVAAJSUIURGPJ-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.25
Rot. Bonds3

About 3-bromo-4-methyl-N-(1-phenylethyl)benzamide

3-bromo-4-methyl-N-(1-phenylethyl)benzamide (PubChem CID 2924515) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(1-phenylethyl)benzamide
PubChem CID2924515
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name3-bromo-4-methyl-N-(1-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NC(C)c2ccccc2)cc1Br
InChIInChI=1S/C16H16BrNO/c1-11-8-9-14(10-15(11)17)16(19)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19)
InChIKeyOPVAAJSUIURGPJ-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(1-phenylethyl)benzamide (CID 2924515) is 3-bromo-4-methyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(1-phenylethyl)benzamide is Cc1ccc(C(=O)NC(C)c2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(1-phenylethyl)benzamide?
The InChIKey is OPVAAJSUIURGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-11-8-9-14(10-15(11)17)16(19)18-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-4-methyl-N-(1-phenylethyl)benzamide?
3-bromo-4-methyl-N-(1-phenylethyl)benzamide has a molecular weight of 318.21 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 2924515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).