4-bromo-N-(2-ethylphenyl)-3-methylbenzamide

C16H16BrNO — CID 112705717

IUPAC4-bromo-N-(2-ethylphenyl)-3-methylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C16H16BrNO/c1-3-12-6-4-5-7-15(12)18-16(19)13-8-9-14(17)11(2)10-13/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyADTZLOWDAJRACO-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.57
Rot. Bonds3

About 4-bromo-N-(2-ethylphenyl)-3-methylbenzamide

4-bromo-N-(2-ethylphenyl)-3-methylbenzamide (PubChem CID 112705717) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 4-bromo-N-(2-ethylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-ethylphenyl)-3-methylbenzamide
PubChem CID112705717
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name4-bromo-N-(2-ethylphenyl)-3-methylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C16H16BrNO/c1-3-12-6-4-5-7-15(12)18-16(19)13-8-9-14(17)11(2)10-13/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyADTZLOWDAJRACO-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
N-(2-ethylphenyl)-3-methoxy-4-methylbenzamide
CID 16620352
3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
CID 79467282
4-hydroxy-3-methyl-N-(2-propylphenyl)benzamide
CID 103956497
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
3,4-dimethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601073
4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
CID 43701008
N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
3-bromo-4-fluoro-N-(2-propylphenyl)benzamide
CID 103706788
4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 113396747

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethylphenyl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(2-ethylphenyl)-3-methylbenzamide (CID 112705717) is 4-bromo-N-(2-ethylphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-ethylphenyl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(2-ethylphenyl)-3-methylbenzamide is CCc1ccccc1NC(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-(2-ethylphenyl)-3-methylbenzamide?
The InChIKey is ADTZLOWDAJRACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-3-12-6-4-5-7-15(12)18-16(19)13-8-9-14(17)11(2)10-13/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(2-ethylphenyl)-3-methylbenzamide?
4-bromo-N-(2-ethylphenyl)-3-methylbenzamide has a molecular weight of 318.21 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethylphenyl)-3-methylbenzamide is sourced from PubChem (CID 112705717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).