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

C20H23BrN2O3 — CID 17222658

IUPAC3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)COc2ccc(CC)cc2Br)c1
InChIInChI=1S/C20H23BrN2O3/c1-3-10-22-20(25)15-6-5-7-16(12-15)23-19(24)13-26-18-9-8-14(4-2)11-17(18)21/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXZRZUVAKBJBKBC-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.17
Rot. Bonds8

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

3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide (PubChem CID 17222658) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
PubChem CID17222658
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)COc2ccc(CC)cc2Br)c1
InChIInChI=1S/C20H23BrN2O3/c1-3-10-22-20(25)15-6-5-7-16(12-15)23-19(24)13-26-18-9-8-14(4-2)11-17(18)21/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyXZRZUVAKBJBKBC-UHFFFAOYSA-N
XLogP4.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222636
methyl 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate
CID 19201785
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17170552
N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 17196920
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
CID 17222660
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17221948
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230671
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231336
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
3-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17197070
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189191

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide (CID 17222658) is 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)COc2ccc(CC)cc2Br)c1.
What is the InChIKey of 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide?
The InChIKey is XZRZUVAKBJBKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-3-10-22-20(25)15-6-5-7-16(12-15)23-19(24)13-26-18-9-8-14(4-2)11-17(18)21/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide?
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide has a molecular weight of 419.32 g/mol, XLogP of 4.17, 8 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-ethylphenoxy)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 17222658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).