2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

C28H29Cl3N2O2 — CID 133171523

IUPAC2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C28H29Cl3N2O2/c1-19(2)17-32-28(35)26(14-20-8-4-3-5-9-20)33(18-22-10-6-7-11-24(22)30)27(34)15-21-12-13-23(29)16-25(21)31/h3-13,16,19,26H,14-15,17-18H2,1-2H3,(H,32,35)
InChIKeyOFBCBMJXSBJFPU-UHFFFAOYSA-N
MW531.91 g/mol
LogP6.60
Rot. Bonds10

About 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 133171523) has the molecular formula C28H29Cl3N2O2 and a molecular weight of 531.91 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID133171523
Molecular FormulaC28H29Cl3N2O2
Molecular Weight531.91 g/mol
Exact Mass530.13
IUPAC Name2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCC(C)CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C28H29Cl3N2O2/c1-19(2)17-32-28(35)26(14-20-8-4-3-5-9-20)33(18-22-10-6-7-11-24(22)30)27(34)15-21-12-13-23(29)16-25(21)31/h3-13,16,19,26H,14-15,17-18H2,1-2H3,(H,32,35)
InChIKeyOFBCBMJXSBJFPU-UHFFFAOYSA-N
XLogP6.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.91
LogP ≤ 56.60
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-ethyl-3-phenylpropanamide
CID 132619869
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173889
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100534320
2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173848
2-[(2,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173907
2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132718441
N-butan-2-yl-2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-3-phenylpropanamide
CID 133221139
N-butan-2-yl-2-[[2-(2-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133259512
2-[[2-(2-chlorophenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173752
2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171194
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132712765
2-[[2-(2,3-dichloro-N-methylsulfonylanilino)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173717

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide (CID 133171523) is 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide is CC(C)CNC(=O)C(Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is OFBCBMJXSBJFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl3N2O2/c1-19(2)17-32-28(35)26(14-20-8-4-3-5-9-20)33(18-22-10-6-7-11-24(22)30)27(34)15-21-12-13-23(29)16-25(21)31/h3-13,16,19,26H,14-15,17-18H2,1-2H3,(H,32,35).
What are the key properties of 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 531.91 g/mol, XLogP of 6.60, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 133171523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).