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

C17H18BrNO — CID 79467562

IUPAC3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(C)c(Br)c1)c1ccccc1C
InChIInChI=1S/C17H18BrNO/c1-4-19(16-8-6-5-7-13(16)3)17(20)14-10-9-12(2)15(18)11-14/h5-11H,4H2,1-3H3
InChIKeyXUSNGUMQOJOWAD-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.73
Rot. Bonds3

About 3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide

3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide (PubChem CID 79467562) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide
PubChem CID79467562
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(C)c(Br)c1)c1ccccc1C
InChIInChI=1S/C17H18BrNO/c1-4-19(16-8-6-5-7-13(16)3)17(20)14-10-9-12(2)15(18)11-14/h5-11H,4H2,1-3H3
InChIKeyXUSNGUMQOJOWAD-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
CID 61091736
6-bromo-N-ethyl-N-(2-methylphenyl)pyridine-3-carboxamide
CID 66464248
5-bromo-N-ethyl-N-(2-methylphenyl)thiophene-3-carboxamide
CID 43424615
N-(3-aminophenyl)-3-bromo-N-ethyl-4-methylbenzamide
CID 81471443
3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide
CID 4511439
3-bromo-5-ethoxy-N-ethyl-4-methoxy-N-(2-methylphenyl)benzamide
CID 30769698
5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414865
5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79929863
N-(2-aminophenyl)-3-bromo-4-chloro-N-ethylbenzamide
CID 107997593
3-benzamido-N-ethyl-N-(2-methylphenyl)benzamide
CID 5158190
3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide
CID 79466412
2-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 28739954

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide (CID 79467562) is 3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide is CCN(C(=O)c1ccc(C)c(Br)c1)c1ccccc1C.
What is the InChIKey of 3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide?
The InChIKey is XUSNGUMQOJOWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-4-19(16-8-6-5-7-13(16)3)17(20)14-10-9-12(2)15(18)11-14/h5-11H,4H2,1-3H3.
What are the key properties of 3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide?
3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide has a molecular weight of 332.24 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 79467562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).