2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide

C21H23Cl2FN2O2 — CID 132667697

IUPAC2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C21H23Cl2FN2O2/c1-3-10-25-21(28)14(2)26(13-16-6-7-17(22)12-19(16)23)20(27)11-15-4-8-18(24)9-5-15/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,25,28)
InChIKeyIEHOBTAENKBJLN-UHFFFAOYSA-N
MW425.33 g/mol
LogP4.62
Rot. Bonds8

About 2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide

2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide (PubChem CID 132667697) has the molecular formula C21H23Cl2FN2O2 and a molecular weight of 425.33 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide
PubChem CID132667697
Molecular FormulaC21H23Cl2FN2O2
Molecular Weight425.33 g/mol
Exact Mass424.11
IUPAC Name2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C21H23Cl2FN2O2/c1-3-10-25-21(28)14(2)26(13-16-6-7-17(22)12-19(16)23)20(27)11-15-4-8-18(24)9-5-15/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,25,28)
InChIKeyIEHOBTAENKBJLN-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132666560
2-[(2-chlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide
CID 132659401
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132663904
(2S)-2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-propylpropanamide
CID 100502910
N-[(2,4-dichlorophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 132654104
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 132676000
2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132717778
2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132674733
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 132678071
2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]amino]-N-propylpropanamide
CID 132687410
2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132655610
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propylpropanamide
CID 132659384

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide (CID 132667697) is 2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide?
The InChIKey is IEHOBTAENKBJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2FN2O2/c1-3-10-25-21(28)14(2)26(13-16-6-7-17(22)12-19(16)23)20(27)11-15-4-8-18(24)9-5-15/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,25,28).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide?
2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide has a molecular weight of 425.33 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 132667697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).