2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide

C30H34Cl2N4O3 — CID 118710229

IUPAC2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide
SMILESCCNCCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C30H34Cl2N4O3/c1-3-33-14-15-34-29(37)19-36(20-30(38)35(2)25-16-21-6-4-5-7-22(21)17-25)27-18-24(32)10-13-28(27)39-26-11-8-23(31)9-12-26/h4-13,18,25,33H,3,14-17,19-20H2,1-2H3,(H,34,37)
InChIKeyRAHNXNCVQAWTAZ-UHFFFAOYSA-N
MW569.53 g/mol
LogP4.94
Rot. Bonds12

About 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide

2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide (PubChem CID 118710229) has the molecular formula C30H34Cl2N4O3 and a molecular weight of 569.53 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide
PubChem CID118710229
Molecular FormulaC30H34Cl2N4O3
Molecular Weight569.53 g/mol
Exact Mass568.20
IUPAC Name2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide
SMILESCCNCCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C30H34Cl2N4O3/c1-3-33-14-15-34-29(37)19-36(20-30(38)35(2)25-16-21-6-4-5-7-22(21)17-25)27-18-24(32)10-13-28(27)39-26-11-8-23(31)9-12-26/h4-13,18,25,33H,3,14-17,19-20H2,1-2H3,(H,34,37)
InChIKeyRAHNXNCVQAWTAZ-UHFFFAOYSA-N
XLogP4.94
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.53
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide?
The IUPAC name of 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide (CID 118710229) is 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide?
The canonical SMILES for 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide is CCNCCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide?
The InChIKey is RAHNXNCVQAWTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34Cl2N4O3/c1-3-33-14-15-34-29(37)19-36(20-30(38)35(2)25-16-21-6-4-5-7-22(21)17-25)27-18-24(32)10-13-28(27)39-26-11-8-23(31)9-12-26/h4-13,18,25,33H,3,14-17,19-20H2,1-2H3,(H,34,37).
What are the key properties of 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide?
2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide has a molecular weight of 569.53 g/mol, XLogP of 4.94, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-chlorophenoxy)-N-[2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-2-oxoethyl]anilino]-N-[2-(ethylamino)ethyl]acetamide is sourced from PubChem (CID 118710229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).