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

C16H16BrNO — CID 53268245

IUPACN-(2-bromo-4-ethylphenyl)-3-methylbenzamide
SMILESCCc1ccc(NC(=O)c2cccc(C)c2)c(Br)c1
InChIInChI=1S/C16H16BrNO/c1-3-12-7-8-15(14(17)10-12)18-16(19)13-6-4-5-11(2)9-13/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyNGBYEGZCQZSNJL-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.57
Rot. Bonds3

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

N-(2-bromo-4-ethylphenyl)-3-methylbenzamide (PubChem CID 53268245) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-(2-bromo-4-ethylphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-ethylphenyl)-3-methylbenzamide
PubChem CID53268245
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-(2-bromo-4-ethylphenyl)-3-methylbenzamide
SMILESCCc1ccc(NC(=O)c2cccc(C)c2)c(Br)c1
InChIInChI=1S/C16H16BrNO/c1-3-12-7-8-15(14(17)10-12)18-16(19)13-6-4-5-11(2)9-13/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyNGBYEGZCQZSNJL-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-ethylphenyl)-3-chlorobenzamide
CID 53268205
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142
N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide
CID 53268266
N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide
CID 2089579
2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
CID 53268216
5-[[3-carboxy-4-[(3-methylbenzoyl)amino]phenyl]methyl]-2-[(3-methylbenzoyl)amino]benzoic acid
CID 131976762
N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide
CID 53268105
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-3-methylbenzamide
CID 884883
N-[2-(chloromethyl)phenyl]-3-methylbenzamide
CID 113271945
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
CID 104814581
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
N-(2-bromo-4-methylphenyl)-3-(3-methylbutoxy)benzamide
CID 54784402

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-ethylphenyl)-3-methylbenzamide?
The IUPAC name of N-(2-bromo-4-ethylphenyl)-3-methylbenzamide (CID 53268245) is N-(2-bromo-4-ethylphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(2-bromo-4-ethylphenyl)-3-methylbenzamide?
The canonical SMILES for N-(2-bromo-4-ethylphenyl)-3-methylbenzamide is CCc1ccc(NC(=O)c2cccc(C)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-ethylphenyl)-3-methylbenzamide?
The InChIKey is NGBYEGZCQZSNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-3-12-7-8-15(14(17)10-12)18-16(19)13-6-4-5-11(2)9-13/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-4-ethylphenyl)-3-methylbenzamide?
N-(2-bromo-4-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 N-(2-bromo-4-ethylphenyl)-3-methylbenzamide is sourced from PubChem (CID 53268245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).