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

C16H16BrNO — CID 81003246

IUPACN-(4-bromo-2-ethylphenyl)-2-methylbenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccccc1C
InChIInChI=1S/C16H16BrNO/c1-3-12-10-13(17)8-9-15(12)18-16(19)14-7-5-4-6-11(14)2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyBRGPJOACAAADOE-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.57
Rot. Bonds3

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

N-(4-bromo-2-ethylphenyl)-2-methylbenzamide (PubChem CID 81003246) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-methylbenzamide
PubChem CID81003246
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-methylbenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccccc1C
InChIInChI=1S/C16H16BrNO/c1-3-12-10-13(17)8-9-15(12)18-16(19)14-7-5-4-6-11(14)2/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyBRGPJOACAAADOE-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

2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
CID 103855381
N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
CID 114343713
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804
N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide
CID 107096920
N-(2,5-dibromophenyl)-2-methylbenzamide
CID 47167937
N-(4-bromo-2-propan-2-ylphenyl)-2-methylbenzamide
CID 804702
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 65311478
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbenzamide
CID 82697246
N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide
CID 64882517
N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide
CID 1233587

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-methylbenzamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-methylbenzamide (CID 81003246) is N-(4-bromo-2-ethylphenyl)-2-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-methylbenzamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-methylbenzamide is CCc1cc(Br)ccc1NC(=O)c1ccccc1C.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-methylbenzamide?
The InChIKey is BRGPJOACAAADOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-3-12-10-13(17)8-9-15(12)18-16(19)14-7-5-4-6-11(14)2/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-methylbenzamide?
N-(4-bromo-2-ethylphenyl)-2-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 N-(4-bromo-2-ethylphenyl)-2-methylbenzamide is sourced from PubChem (CID 81003246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).