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

C23H28Cl2N2O2 — CID 132712765

IUPAC2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H28Cl2N2O2/c1-4-21(23(29)26-14-16(2)3)27(15-17-8-6-5-7-9-17)22(28)12-18-10-11-19(24)13-20(18)25/h5-11,13,16,21H,4,12,14-15H2,1-3H3,(H,26,29)
InChIKeyOFFJQAGLNIMTMW-UHFFFAOYSA-N
MW435.40 g/mol
LogP5.12
Rot. Bonds9

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

2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide (PubChem CID 132712765) has the molecular formula C23H28Cl2N2O2 and a molecular weight of 435.40 g/mol. Its IUPAC name is 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
PubChem CID132712765
Molecular FormulaC23H28Cl2N2O2
Molecular Weight435.40 g/mol
Exact Mass434.15
IUPAC Name2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H28Cl2N2O2/c1-4-21(23(29)26-14-16(2)3)27(15-17-8-6-5-7-9-17)22(28)12-18-10-11-19(24)13-20(18)25/h5-11,13,16,21H,4,12,14-15H2,1-3H3,(H,26,29)
InChIKeyOFFJQAGLNIMTMW-UHFFFAOYSA-N
XLogP5.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-propylbutanamide
CID 100543083
(2R)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515413
2-[(2-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171523
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132614253
2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132708850
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-ethylpropanamide
CID 132659751
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173889
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152720
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132670402
2-[(2,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173848
2-[(2,4-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132717778
N-butan-2-yl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-3-phenylpropanamide
CID 133233821

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide?
The IUPAC name of 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide (CID 132712765) is 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide?
The canonical SMILES for 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide is CCC(C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide?
The InChIKey is OFFJQAGLNIMTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2/c1-4-21(23(29)26-14-16(2)3)27(15-17-8-6-5-7-9-17)22(28)12-18-10-11-19(24)13-20(18)25/h5-11,13,16,21H,4,12,14-15H2,1-3H3,(H,26,29).
What are the key properties of 2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide?
2-[benzyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide has a molecular weight of 435.40 g/mol, XLogP of 5.12, 9 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-(2-methylpropyl)butanamide is sourced from PubChem (CID 132712765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).