N-(2-bromo-4-methylphenyl)-4-ethylbenzamide

C16H16BrNO — CID 2547142

IUPACN-(2-bromo-4-methylphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C16H16BrNO/c1-3-12-5-7-13(8-6-12)16(19)18-15-9-4-11(2)10-14(15)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyGYSFXPDWCOKEDN-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.57
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-4-ethylbenzamide

N-(2-bromo-4-methylphenyl)-4-ethylbenzamide (PubChem CID 2547142) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-ethylbenzamide
PubChem CID2547142
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(2-bromo-4-methylphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C16H16BrNO/c1-3-12-5-7-13(8-6-12)16(19)18-15-9-4-11(2)10-14(15)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyGYSFXPDWCOKEDN-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

N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide
CID 2089579
N-(2-bromo-4-ethylphenyl)-3-methylbenzamide
CID 53268245
[4-[(2-bromo-4-methylphenyl)carbamoyl]phenyl] propanoate
CID 5031417
N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide
CID 53268266
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide
CID 1014637
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940
N-(2-ethyl-5-methylphenyl)-4-methylbenzamide
CID 130461035
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-ethylbenzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-ethylbenzamide (CID 2547142) is N-(2-bromo-4-methylphenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-ethylbenzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccc(C)cc2Br)cc1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-ethylbenzamide?
The InChIKey is GYSFXPDWCOKEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-3-12-5-7-13(8-6-12)16(19)18-15-9-4-11(2)10-14(15)17/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-ethylbenzamide?
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide 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-(2-bromo-4-methylphenyl)-4-ethylbenzamide is sourced from PubChem (CID 2547142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).