3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide

C26H25Cl2N3O3 — CID 57479042

IUPAC3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide
SMILESO=C(CC(NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)c1ccccc1)NCCO
InChIInChI=1S/C26H25Cl2N3O3/c27-19-8-4-5-17(13-19)16-26(21-10-9-20(28)14-23(21)30-25(26)34)31-22(15-24(33)29-11-12-32)18-6-2-1-3-7-18/h1-10,13-14,22,31-32H,11-12,15-16H2,(H,29,33)(H,30,34)
InChIKeyYWHKQZOWUXFQPS-UHFFFAOYSA-N
MW498.41 g/mol
LogP4.21
Rot. Bonds9

About 3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide

3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide (PubChem CID 57479042) has the molecular formula C26H25Cl2N3O3 and a molecular weight of 498.41 g/mol. Its IUPAC name is 3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide
PubChem CID57479042
Molecular FormulaC26H25Cl2N3O3
Molecular Weight498.41 g/mol
Exact Mass497.13
IUPAC Name3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide
SMILESO=C(CC(NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)c1ccccc1)NCCO
InChIInChI=1S/C26H25Cl2N3O3/c27-19-8-4-5-17(13-19)16-26(21-10-9-20(28)14-23(21)30-25(26)34)31-22(15-24(33)29-11-12-32)18-6-2-1-3-7-18/h1-10,13-14,22,31-32H,11-12,15-16H2,(H,29,33)(H,30,34)
InChIKeyYWHKQZOWUXFQPS-UHFFFAOYSA-N
XLogP4.21
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.41
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide 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-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid
CID 66991920
6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one
CID 141199660
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4,5-difluoro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 70888004
(3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one
CID 132839204
6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one
CID 24950436
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]ethylcarbamic acid;cyclobutane
CID 68562707
2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide
CID 68565540
N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide
CID 150596245
4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid
CID 70320059
6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one
CID 24950440
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-propan-2-ylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 57479223
1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]indole-2-carboxylic acid
CID 141199707

Frequently Asked Questions

What is the IUPAC name of 3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide?
The IUPAC name of 3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide (CID 57479042) is 3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide.
What is the SMILES notation for 3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide?
The canonical SMILES for 3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide is O=C(CC(NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21)c1ccccc1)NCCO.
What is the InChIKey of 3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide?
The InChIKey is YWHKQZOWUXFQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O3/c27-19-8-4-5-17(13-19)16-26(21-10-9-20(28)14-23(21)30-25(26)34)31-22(15-24(33)29-11-12-32)18-6-2-1-3-7-18/h1-10,13-14,22,31-32H,11-12,15-16H2,(H,29,33)(H,30,34).
What are the key properties of 3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide?
3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide has a molecular weight of 498.41 g/mol, XLogP of 4.21, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 57479042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).