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

C18H18BrClN2O3 — CID 17222660

IUPAC3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C18H18BrClN2O3/c1-2-8-21-18(24)12-4-3-5-14(9-12)22-17(23)11-25-16-7-6-13(19)10-15(16)20/h3-7,9-10H,2,8,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyVVXVTYGLURFRTD-UHFFFAOYSA-N
MW425.71 g/mol
LogP4.26
Rot. Bonds7

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

3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide (PubChem CID 17222660) has the molecular formula C18H18BrClN2O3 and a molecular weight of 425.71 g/mol. Its IUPAC name is 3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
PubChem CID17222660
Molecular FormulaC18H18BrClN2O3
Molecular Weight425.71 g/mol
Exact Mass424.02
IUPAC Name3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C18H18BrClN2O3/c1-2-8-21-18(24)12-4-3-5-14(9-12)22-17(23)11-25-16-7-6-13(19)10-15(16)20/h3-7,9-10H,2,8,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyVVXVTYGLURFRTD-UHFFFAOYSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.71
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(4-bromo-2-chlorophenoxy)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

N-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 17196920
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222636
3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222658
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(2-hydroxyethyl)benzamide
CID 24811987
3-[[2-(2-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222626
3-bromo-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]benzamide
CID 108539659
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide
CID 17234319
4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218745
2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 26161547
2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
CID 5210911
3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197394
2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154711

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide (CID 17222660) is 3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1.
What is the InChIKey of 3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide?
The InChIKey is VVXVTYGLURFRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O3/c1-2-8-21-18(24)12-4-3-5-14(9-12)22-17(23)11-25-16-7-6-13(19)10-15(16)20/h3-7,9-10H,2,8,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide?
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide has a molecular weight of 425.71 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 17222660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).