2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide

C20H21Cl3N2O2 — CID 132668230

IUPAC2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C20H21Cl3N2O2/c1-3-24-20(27)13(2)25(12-15-8-9-16(21)11-18(15)23)19(26)10-14-6-4-5-7-17(14)22/h4-9,11,13H,3,10,12H2,1-2H3,(H,24,27)
InChIKeyUVKCCOVLJYOPTO-UHFFFAOYSA-N
MW427.76 g/mol
LogP4.74
Rot. Bonds7

About 2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide

2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide (PubChem CID 132668230) has the molecular formula C20H21Cl3N2O2 and a molecular weight of 427.76 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide
PubChem CID132668230
Molecular FormulaC20H21Cl3N2O2
Molecular Weight427.76 g/mol
Exact Mass426.07
IUPAC Name2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C20H21Cl3N2O2/c1-3-24-20(27)13(2)25(12-15-8-9-16(21)11-18(15)23)19(26)10-14-6-4-5-7-17(14)22/h4-9,11,13H,3,10,12H2,1-2H3,(H,24,27)
InChIKeyUVKCCOVLJYOPTO-UHFFFAOYSA-N
XLogP4.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.76
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethylpropanamide
CID 132663914
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide
CID 132659751
2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132718441
(2R)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]propanamide
CID 100558374
2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132619869
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132663904
2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
CID 132662907
(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100698006
2-[3-(2-chlorophenyl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 132675484
2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethylpropanamide
CID 132662949
2-[(2-chlorophenyl)methyl-[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-ethylpropanamide
CID 132682972
2-[3-(4-chlorophenyl)sulfanylpropanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide
CID 132943824

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide (CID 132668230) is 2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide?
The InChIKey is UVKCCOVLJYOPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl3N2O2/c1-3-24-20(27)13(2)25(12-15-8-9-16(21)11-18(15)23)19(26)10-14-6-4-5-7-17(14)22/h4-9,11,13H,3,10,12H2,1-2H3,(H,24,27).
What are the key properties of 2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide?
2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide has a molecular weight of 427.76 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 132668230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).