[2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate

C25H21Cl2N3O3 — CID 170645764

IUPAC[2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCn1ccc2ccc(NC(=O)COC(=O)Cc3ccccc3Nc3c(Cl)cccc3Cl)cc21
InChIInChI=1S/C25H21Cl2N3O3/c1-30-12-11-16-9-10-18(14-22(16)30)28-23(31)15-33-24(32)13-17-5-2-3-8-21(17)29-25-19(26)6-4-7-20(25)27/h2-12,14,29H,13,15H2,1H3,(H,28,31)
InChIKeyHHUVORQLPJYKBV-UHFFFAOYSA-N
MW482.37 g/mol
LogP5.95
Rot. Bonds7

About [2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate

[2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 170645764) has the molecular formula C25H21Cl2N3O3 and a molecular weight of 482.37 g/mol. Its IUPAC name is [2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Name[2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID170645764
Molecular FormulaC25H21Cl2N3O3
Molecular Weight482.37 g/mol
Exact Mass481.10
IUPAC Name[2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCn1ccc2ccc(NC(=O)COC(=O)Cc3ccccc3Nc3c(Cl)cccc3Cl)cc21
InChIInChI=1S/C25H21Cl2N3O3/c1-30-12-11-16-9-10-18(14-22(16)30)28-23(31)15-33-24(32)13-17-5-2-3-8-21(17)29-25-19(26)6-4-7-20(25)27/h2-12,14,29H,13,15H2,1H3,(H,28,31)
InChIKeyHHUVORQLPJYKBV-UHFFFAOYSA-N
XLogP5.95
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.37
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate 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-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633182
N-(4-chlorophenyl)-2-[2-(2,6-dichloroanilino)phenyl]acetamide
CID 23764468
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
[2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 142648888
(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 157152797
pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59514929
2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 54789933
(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate
CID 8633215
N-[4-chloro-3-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]phenyl]butanamide
CID 54790103
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of [2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 170645764) is [2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for [2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for [2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate is Cn1ccc2ccc(NC(=O)COC(=O)Cc3ccccc3Nc3c(Cl)cccc3Cl)cc21.
What is the InChIKey of [2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is HHUVORQLPJYKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O3/c1-30-12-11-16-9-10-18(14-22(16)30)28-23(31)15-33-24(32)13-17-5-2-3-8-21(17)29-25-19(26)6-4-7-20(25)27/h2-12,14,29H,13,15H2,1H3,(H,28,31).
What are the key properties of [2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate?
[2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 482.37 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylindol-6-yl)amino]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 170645764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).