4-bromo-N-ethyl-N-(2-methylphenyl)benzamide

C16H16BrNO — CID 767744

IUPAC4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(Br)cc1)c1ccccc1C
InChIInChI=1S/C16H16BrNO/c1-3-18(15-7-5-4-6-12(15)2)16(19)13-8-10-14(17)11-9-13/h4-11H,3H2,1-2H3
InChIKeySIIIYUKCCPJNNZ-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.42
Rot. Bonds3

About 4-bromo-N-ethyl-N-(2-methylphenyl)benzamide

4-bromo-N-ethyl-N-(2-methylphenyl)benzamide (PubChem CID 767744) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
PubChem CID767744
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(Br)cc1)c1ccccc1C
InChIInChI=1S/C16H16BrNO/c1-3-18(15-7-5-4-6-12(15)2)16(19)13-8-10-14(17)11-9-13/h4-11H,3H2,1-2H3
InChIKeySIIIYUKCCPJNNZ-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-bromo-N-ethyl-N-(2-methylphenyl)benzamide (CID 767744) is 4-bromo-N-ethyl-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-N-ethyl-N-(2-methylphenyl)benzamide is CCN(C(=O)c1ccc(Br)cc1)c1ccccc1C.
What is the InChIKey of 4-bromo-N-ethyl-N-(2-methylphenyl)benzamide?
The InChIKey is SIIIYUKCCPJNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-3-18(15-7-5-4-6-12(15)2)16(19)13-8-10-14(17)11-9-13/h4-11H,3H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-N-(2-methylphenyl)benzamide?
4-bromo-N-ethyl-N-(2-methylphenyl)benzamide has a molecular weight of 318.21 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 767744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).