3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide

C19H21BrN2O3 — CID 17222636

IUPAC3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)COc2ccc(C)cc2Br)c1
InChIInChI=1S/C19H21BrN2O3/c1-3-9-21-19(24)14-5-4-6-15(11-14)22-18(23)12-25-17-8-7-13(2)10-16(17)20/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJWPIVGMLESWVFB-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.91
Rot. Bonds7

About 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide

3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide (PubChem CID 17222636) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide
PubChem CID17222636
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)COc2ccc(C)cc2Br)c1
InChIInChI=1S/C19H21BrN2O3/c1-3-9-21-19(24)14-5-4-6-15(11-14)22-18(23)12-25-17-8-7-13(2)10-16(17)20/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJWPIVGMLESWVFB-UHFFFAOYSA-N
XLogP3.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230671
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222658
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
CID 17222660
N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 17196920
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231792
N-butyl-3-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzamide
CID 17196875
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499
3-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17197070
2-ethoxyethyl 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]benzoate
CID 19166247
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218964
3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 17222743

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide (CID 17222636) is 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)COc2ccc(C)cc2Br)c1.
What is the InChIKey of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide?
The InChIKey is JWPIVGMLESWVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-3-9-21-19(24)14-5-4-6-15(11-14)22-18(23)12-25-17-8-7-13(2)10-16(17)20/h4-8,10-11H,3,9,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide?
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide has a molecular weight of 405.29 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 17222636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).