4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide

C18H18Br2N2O3 — CID 17218745

IUPAC4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C18H18Br2N2O3/c1-2-9-21-18(24)12-3-6-14(7-4-12)22-17(23)11-25-16-8-5-13(19)10-15(16)20/h3-8,10H,2,9,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyMWUAZEKIOOWSKR-UHFFFAOYSA-N
MW470.16 g/mol
LogP4.37
Rot. Bonds7

About 4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide

4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide (PubChem CID 17218745) has the molecular formula C18H18Br2N2O3 and a molecular weight of 470.16 g/mol. Its IUPAC name is 4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide
PubChem CID17218745
Molecular FormulaC18H18Br2N2O3
Molecular Weight470.16 g/mol
Exact Mass467.97
IUPAC Name4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C18H18Br2N2O3/c1-2-9-21-18(24)12-3-6-14(7-4-12)22-17(23)11-25-16-8-5-13(19)10-15(16)20/h3-8,10H,2,9,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyMWUAZEKIOOWSKR-UHFFFAOYSA-N
XLogP4.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.16
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide
CID 17234319
N-cyclopropyl-4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 24587088
N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 17196920
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
CID 17222660
4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17195320
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
CID 17218734
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222636
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222658
N-[4-[[[2-(2,4-dibromophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide
CID 4505741
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9289895

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide (CID 17218745) is 4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1.
What is the InChIKey of 4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide?
The InChIKey is MWUAZEKIOOWSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O3/c1-2-9-21-18(24)12-3-6-14(7-4-12)22-17(23)11-25-16-8-5-13(19)10-15(16)20/h3-8,10H,2,9,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide?
4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide has a molecular weight of 470.16 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 17218745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).