3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide

C18H18Br2N2O3 — CID 17197394

IUPAC3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2Br)c1
InChIInChI=1S/C18H18Br2N2O3/c1-11(2)21-18(24)12-4-3-5-14(8-12)22-17(23)10-25-16-7-6-13(19)9-15(16)20/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFJFHPFHEZXNATK-UHFFFAOYSA-N
MW470.16 g/mol
LogP4.37
Rot. Bonds6

About 3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide

3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 17197394) has the molecular formula C18H18Br2N2O3 and a molecular weight of 470.16 g/mol. Its IUPAC name is 3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID17197394
Molecular FormulaC18H18Br2N2O3
Molecular Weight470.16 g/mol
Exact Mass467.97
IUPAC Name3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2Br)c1
InChIInChI=1S/C18H18Br2N2O3/c1-11(2)21-18(24)12-4-3-5-14(8-12)22-17(23)10-25-16-7-6-13(19)9-15(16)20/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFJFHPFHEZXNATK-UHFFFAOYSA-N
XLogP4.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide 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

N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 17196920
2-(2,4-dibromophenoxy)-N-(3-hydroxyphenyl)acetamide
CID 981216
methyl 3-bromo-4-[2-(3-bromoanilino)-2-oxoethoxy]benzoate
CID 36531528
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230671
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
CID 17222660
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide (CID 17197394) is 3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2Br)c1.
What is the InChIKey of 3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is FJFHPFHEZXNATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O3/c1-11(2)21-18(24)12-4-3-5-14(8-12)22-17(23)10-25-16-7-6-13(19)9-15(16)20/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 470.16 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 17197394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).