2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide

C24H28BrClN2O3 — CID 132620435

IUPAC2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C24H28BrClN2O3/c1-17(24(30)27-20-9-5-6-10-20)28(14-13-18-7-3-2-4-8-18)23(29)16-31-22-12-11-19(25)15-21(22)26/h2-4,7-8,11-12,15,17,20H,5-6,9-10,13-14,16H2,1H3,(H,27,30)
InChIKeyNZBVURPDNWELOJ-UHFFFAOYSA-N
MW507.86 g/mol
LogP5.00
Rot. Bonds9

About 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide

2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide (PubChem CID 132620435) has the molecular formula C24H28BrClN2O3 and a molecular weight of 507.86 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide
PubChem CID132620435
Molecular FormulaC24H28BrClN2O3
Molecular Weight507.86 g/mol
Exact Mass506.10
IUPAC Name2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C24H28BrClN2O3/c1-17(24(30)27-20-9-5-6-10-20)28(14-13-18-7-3-2-4-8-18)23(29)16-31-22-12-11-19(25)15-21(22)26/h2-4,7-8,11-12,15,17,20H,5-6,9-10,13-14,16H2,1H3,(H,27,30)
InChIKeyNZBVURPDNWELOJ-UHFFFAOYSA-N
XLogP5.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.86
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132675380
(2S)-2-[[2-(2-bromo-4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100520359
(2R)-2-[[2-(2-bromo-4-ethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclohexylpropanamide
CID 100520367
(2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100505437
N-cyclopentyl-2-[[2-(2-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132985880
N-cyclopentyl-2-[2-phenylethyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 132611360
(2R)-N-cyclohexyl-2-[2-phenylethyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 100520633
(2R)-N-cyclohexyl-2-[[2-(2-fluorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100521715
(2S)-2-[(3-bromophenyl)methyl-[2-(2-chlorophenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100563702
(2R)-2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-methylpropanamide
CID 100566219
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 132679381
2-[[2-(2-chlorophenyl)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide
CID 132984685

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide (CID 132620435) is 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide?
The InChIKey is NZBVURPDNWELOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrClN2O3/c1-17(24(30)27-20-9-5-6-10-20)28(14-13-18-7-3-2-4-8-18)23(29)16-31-22-12-11-19(25)15-21(22)26/h2-4,7-8,11-12,15,17,20H,5-6,9-10,13-14,16H2,1H3,(H,27,30).
What are the key properties of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide?
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide has a molecular weight of 507.86 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 132620435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).