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

C20H22BrClN2O3 — CID 132675380

IUPAC2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C20H22BrClN2O3/c1-14(20(26)23-2)24(11-10-15-6-4-3-5-7-15)19(25)13-27-18-9-8-16(21)12-17(18)22/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)
InChIKeyQXWSBBVFYHGKTJ-UHFFFAOYSA-N
MW453.76 g/mol
LogP3.69
Rot. Bonds8

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

2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide (PubChem CID 132675380) has the molecular formula C20H22BrClN2O3 and a molecular weight of 453.76 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
PubChem CID132675380
Molecular FormulaC20H22BrClN2O3
Molecular Weight453.76 g/mol
Exact Mass452.05
IUPAC Name2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C20H22BrClN2O3/c1-14(20(26)23-2)24(11-10-15-6-4-3-5-7-15)19(25)13-27-18-9-8-16(21)12-17(18)22/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)
InChIKeyQXWSBBVFYHGKTJ-UHFFFAOYSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(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-cyclopentylpropanamide
CID 132620435
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-methylpropanamide
CID 132681345
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 132679381
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132943255
N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132717313
2-[[2-(4-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132656360
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 100625235
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-methylpropanamide
CID 132681344
(2R)-2-[benzyl-[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylpropanamide
CID 100566003
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 133194720
(2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100689334

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide (CID 132675380) is 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide is CNC(=O)C(C)N(CCc1ccccc1)C(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide?
The InChIKey is QXWSBBVFYHGKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrClN2O3/c1-14(20(26)23-2)24(11-10-15-6-4-3-5-7-15)19(25)13-27-18-9-8-16(21)12-17(18)22/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26).
What are the key properties of 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide?
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide has a molecular weight of 453.76 g/mol, XLogP of 3.69, 8 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-methylpropanamide is sourced from PubChem (CID 132675380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).