2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide

C23H28Cl2N2O2 — CID 132670472

IUPAC2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1
InChIInChI=1S/C23H28Cl2N2O2/c1-4-17-6-8-18(9-7-17)11-13-22(28)27(16(3)23(29)26-5-2)15-19-10-12-20(24)21(25)14-19/h6-10,12,14,16H,4-5,11,13,15H2,1-3H3,(H,26,29)
InChIKeyBDYHVAZCVRVSPC-UHFFFAOYSA-N
MW435.40 g/mol
LogP5.04
Rot. Bonds9

About 2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide

2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide (PubChem CID 132670472) has the molecular formula C23H28Cl2N2O2 and a molecular weight of 435.40 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide
PubChem CID132670472
Molecular FormulaC23H28Cl2N2O2
Molecular Weight435.40 g/mol
Exact Mass434.15
IUPAC Name2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1
InChIInChI=1S/C23H28Cl2N2O2/c1-4-17-6-8-18(9-7-17)11-13-22(28)27(16(3)23(29)26-5-2)15-19-10-12-20(24)21(25)14-19/h6-10,12,14,16H,4-5,11,13,15H2,1-3H3,(H,26,29)
InChIKeyBDYHVAZCVRVSPC-UHFFFAOYSA-N
XLogP5.04
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 ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide 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

(2S)-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propylpropanamide
CID 100508823
(2S)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide
CID 100589770
(2S)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide
CID 100589757
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]propanamide
CID 132616163
2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide
CID 132670433
(2S)-2-[(3,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 100702370
2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132674733
(2S)-2-[3-(1,3-benzodioxol-5-yl)propanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 100509401
N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide
CID 132724253
2-[(2-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-ethylpropanamide
CID 132656033
(2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide
CID 100618757
2-[3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide
CID 132944848

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide (CID 132670472) is 2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide?
The InChIKey is BDYHVAZCVRVSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2/c1-4-17-6-8-18(9-7-17)11-13-22(28)27(16(3)23(29)26-5-2)15-19-10-12-20(24)21(25)14-19/h6-10,12,14,16H,4-5,11,13,15H2,1-3H3,(H,26,29).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide?
2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide has a molecular weight of 435.40 g/mol, XLogP of 5.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 132670472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).