(2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide

C24H30Cl2N2O2 — CID 100696901

IUPAC(2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
SMILESCCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)cc1
InChIInChI=1S/C24H30Cl2N2O2/c1-5-18-6-8-19(9-7-18)10-13-23(29)28(17(4)24(30)27-16(2)3)15-20-11-12-21(25)14-22(20)26/h6-9,11-12,14,16-17H,5,10,13,15H2,1-4H3,(H,27,30)/t17-/m1/s1
InChIKeyKYCQLCSDCDVFBI-QGZVFWFLSA-N
MW449.42 g/mol
LogP5.43
Rot. Bonds9

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

(2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide (PubChem CID 100696901) has the molecular formula C24H30Cl2N2O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is (2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
PubChem CID100696901
Molecular FormulaC24H30Cl2N2O2
Molecular Weight449.42 g/mol
Exact Mass448.17
IUPAC Name(2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
SMILESCCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)cc1
InChIInChI=1S/C24H30Cl2N2O2/c1-5-18-6-8-19(9-7-18)10-13-23(29)28(17(4)24(30)27-16(2)3)15-20-11-12-21(25)14-22(20)26/h6-9,11-12,14,16-17H,5,10,13,15H2,1-4H3,(H,27,30)/t17-/m1/s1
InChIKeyKYCQLCSDCDVFBI-QGZVFWFLSA-N
XLogP5.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.42
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide
CID 132670433
2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132674733
(2S)-2-[3-(1,3-benzodioxol-5-yl)propanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100697488
(2R)-N-[(2S)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 100576679
N-butan-2-yl-2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132712827
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 132652594
(2S)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide
CID 100724107
(2R)-2-[(2,4-dichlorophenyl)methyl-[2-(4-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 125047150
(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100698006
2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 132659762
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 132724251
(2R)-2-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 125054524

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide (CID 100696901) is (2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide is CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)cc1.
What is the InChIKey of (2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is KYCQLCSDCDVFBI-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H30Cl2N2O2/c1-5-18-6-8-19(9-7-18)10-13-23(29)28(17(4)24(30)27-16(2)3)15-20-11-12-21(25)14-22(20)26/h6-9,11-12,14,16-17H,5,10,13,15H2,1-4H3,(H,27,30)/t17-/m1/s1.
What are the key properties of (2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide?
(2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 449.42 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100696901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).