3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide

C13H18BrNO2 — CID 17351708

IUPAC3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
SMILESCCNC(=O)c1ccc(OCC(C)C)c(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-4-15-13(16)10-5-6-12(11(14)7-10)17-8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyMEPNFTWJOZZLIX-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.23
Rot. Bonds5

About 3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide

3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide (PubChem CID 17351708) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
PubChem CID17351708
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
SMILESCCNC(=O)c1ccc(OCC(C)C)c(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-4-15-13(16)10-5-6-12(11(14)7-10)17-8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyMEPNFTWJOZZLIX-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710
3-bromo-N-[[4-(ethylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17234544
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
CID 17351586
3-bromo-4-(2-methylpropoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17351631
3-bromo-N-(2,5-dichlorophenyl)-4-(2-methylpropoxy)benzamide
CID 17351668
3-bromo-N'-[4-(2-methylpropoxy)benzoyl]-4-propoxybenzohydrazide
CID 17342923
3-bromo-N-(3-hydroxypropylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 17352338
3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide
CID 17351627
3-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 17199563
3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351905
3-bromo-N-(1-hydroxybutan-2-ylcarbamothioyl)-4-(2-methylpropoxy)benzamide
CID 17162185

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide (CID 17351708) is 3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide is CCNC(=O)c1ccc(OCC(C)C)c(Br)c1.
What is the InChIKey of 3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide?
The InChIKey is MEPNFTWJOZZLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-4-15-13(16)10-5-6-12(11(14)7-10)17-8-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide?
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide has a molecular weight of 300.20 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17351708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).