N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide

C17H18BrNO2 — CID 107574997

IUPACN-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C)c(Br)c(C)c2)cc1
InChIInChI=1S/C17H18BrNO2/c1-4-21-15-7-5-13(6-8-15)17(20)19-14-9-11(2)16(18)12(3)10-14/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyHAURDPQWXCZITE-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.72
Rot. Bonds4

About N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide

N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide (PubChem CID 107574997) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide
PubChem CID107574997
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(C)c(Br)c(C)c2)cc1
InChIInChI=1S/C17H18BrNO2/c1-4-21-15-7-5-13(6-8-15)17(20)19-14-9-11(2)16(18)12(3)10-14/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyHAURDPQWXCZITE-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid
CID 1369230
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
4-N-(2,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049620
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9100799
4-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948187
3-N-(3,5-dimethylphenyl)-1-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057223
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-(4-ethoxy-3,5-dimethylphenyl)benzamide
CID 13343221

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide (CID 107574997) is N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(C)c(Br)c(C)c2)cc1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide?
The InChIKey is HAURDPQWXCZITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-4-21-15-7-5-13(6-8-15)17(20)19-14-9-11(2)16(18)12(3)10-14/h5-10H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide?
N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide has a molecular weight of 348.24 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide is sourced from PubChem (CID 107574997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).