2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide

C34H34Cl2N2O2 — CID 133255789

IUPAC2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H34Cl2N2O2/c1-2-20-37-34(40)32(21-25-12-6-3-7-13-25)38(24-28-18-19-29(35)22-31(28)36)33(39)23-30(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-19,22,30,32H,2,20-21,23-24H2,1H3,(H,37,40)
InChIKeyZMILMDDVUMUSKQ-UHFFFAOYSA-N
MW573.56 g/mol
LogP7.68
Rot. Bonds12

About 2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide

2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide (PubChem CID 133255789) has the molecular formula C34H34Cl2N2O2 and a molecular weight of 573.56 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide
PubChem CID133255789
Molecular FormulaC34H34Cl2N2O2
Molecular Weight573.56 g/mol
Exact Mass572.20
IUPAC Name2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H34Cl2N2O2/c1-2-20-37-34(40)32(21-25-12-6-3-7-13-25)38(24-28-18-19-29(35)22-31(28)36)33(39)23-30(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-19,22,30,32H,2,20-21,23-24H2,1H3,(H,37,40)
InChIKeyZMILMDDVUMUSKQ-UHFFFAOYSA-N
XLogP7.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.56
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 133255767
2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132619517
2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132622469
N-[(2R)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(2,4-dichlorophenyl)methyl]butanamide
CID 100688490
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132629243
(2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenylpropanamide
CID 100647407
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 133255772
2-[(2,4-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132623433
(2S)-N-butyl-2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 100681260
(2R)-N-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 100688664
2-[(2,4-dichlorophenyl)methyl-[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132628094
2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132619869

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide (CID 133255789) is 2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide is CCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide?
The InChIKey is ZMILMDDVUMUSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34Cl2N2O2/c1-2-20-37-34(40)32(21-25-12-6-3-7-13-25)38(24-28-18-19-29(35)22-31(28)36)33(39)23-30(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-19,22,30,32H,2,20-21,23-24H2,1H3,(H,37,40).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide?
2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide has a molecular weight of 573.56 g/mol, XLogP of 7.68, 12 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-(3,3-diphenylpropanoyl)amino]-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 133255789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).