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

C22H26Cl2N2O2 — CID 132666560

IUPAC2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C22H26Cl2N2O2/c1-4-11-25-22(28)16(3)26(14-18-9-10-19(23)13-20(18)24)21(27)12-17-7-5-15(2)6-8-17/h5-10,13,16H,4,11-12,14H2,1-3H3,(H,25,28)
InChIKeyDINQFGPYXJPNSX-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.79
Rot. Bonds8

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

2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide (PubChem CID 132666560) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
PubChem CID132666560
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C22H26Cl2N2O2/c1-4-11-25-22(28)16(3)26(14-18-9-10-19(23)13-20(18)24)21(27)12-17-7-5-15(2)6-8-17/h5-10,13,16H,4,11-12,14H2,1-3H3,(H,25,28)
InChIKeyDINQFGPYXJPNSX-UHFFFAOYSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylpropanamide
CID 132667697
2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 132670432
(2S)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 100582087
N-[(2,4-dichlorophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 132654104
N-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132712859
2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132674733
2-[[2-(2,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylpropanamide
CID 132666494
(2R)-2-[(2,6-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 100515175
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 132678071
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132670402
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132659728
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132666496

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide (CID 132666560) is 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide?
The InChIKey is DINQFGPYXJPNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-4-11-25-22(28)16(3)26(14-18-9-10-19(23)13-20(18)24)21(27)12-17-7-5-15(2)6-8-17/h5-10,13,16H,4,11-12,14H2,1-3H3,(H,25,28).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide?
2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide has a molecular weight of 421.37 g/mol, XLogP of 4.79, 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-methylphenyl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 132666560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).