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

C20H22Cl2N2O2 — CID 132659751

IUPAC2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-3-23-20(26)14(2)24(13-15-7-5-4-6-8-15)19(25)11-16-9-10-17(21)12-18(16)22/h4-10,12,14H,3,11,13H2,1-2H3,(H,23,26)
InChIKeyGFOKZKVOVGIJLE-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.09
Rot. Bonds7

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

2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide (PubChem CID 132659751) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide
PubChem CID132659751
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-3-23-20(26)14(2)24(13-15-7-5-4-6-8-15)19(25)11-16-9-10-17(21)12-18(16)22/h4-10,12,14H,3,11,13H2,1-2H3,(H,23,26)
InChIKeyGFOKZKVOVGIJLE-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide
CID 132668230
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
2-[(2,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethylpropanamide
CID 132663914
(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100536342
2-[[2-(2,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylpropanamide
CID 132666494
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132712765
(2R)-2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-propylbutanamide
CID 100543083
2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132619869
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152720
2-[(3-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 133245042
(2S)-N-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-3-phenylpropanamide
CID 100641799

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide (CID 132659751) is 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide?
The InChIKey is GFOKZKVOVGIJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-3-23-20(26)14(2)24(13-15-7-5-4-6-8-15)19(25)11-16-9-10-17(21)12-18(16)22/h4-10,12,14H,3,11,13H2,1-2H3,(H,23,26).
What are the key properties of 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide?
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide has a molecular weight of 393.31 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 132659751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).