ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate

C30H28Cl3FN2O5 — CID 143823339

IUPACethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1C(CC(=O)NC)[C@]1(c2cc(Cl)ccc2F)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C30H28Cl3FN2O5/c1-5-40-28(39)29(2,3)41-25-11-8-16(31)12-19(25)21(15-26(37)35-4)30(22-13-17(32)7-10-23(22)34)20-9-6-18(33)14-24(20)36-27(30)38/h6-14,21H,5,15H2,1-4H3,(H,35,37)(H,36,38)/t21?,30-/m1/s1
InChIKeyRWYYQAVXRMBJOI-OOWVFKJZSA-N
MW621.92 g/mol
LogP6.66
Rot. Bonds9

About ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate

ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate (PubChem CID 143823339) has the molecular formula C30H28Cl3FN2O5 and a molecular weight of 621.92 g/mol. Its IUPAC name is ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate
PubChem CID143823339
Molecular FormulaC30H28Cl3FN2O5
Molecular Weight621.92 g/mol
Exact Mass620.10
IUPAC Nameethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1C(CC(=O)NC)[C@]1(c2cc(Cl)ccc2F)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C30H28Cl3FN2O5/c1-5-40-28(39)29(2,3)41-25-11-8-16(31)12-19(25)21(15-26(37)35-4)30(22-13-17(32)7-10-23(22)34)20-9-6-18(33)14-24(20)36-27(30)38/h6-14,21H,5,15H2,1-4H3,(H,35,37)(H,36,38)/t21?,30-/m1/s1
InChIKeyRWYYQAVXRMBJOI-OOWVFKJZSA-N
XLogP6.66
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.92
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate 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 ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate?
The IUPAC name of ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate (CID 143823339) is ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1C(CC(=O)NC)[C@]1(c2cc(Cl)ccc2F)C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate?
The InChIKey is RWYYQAVXRMBJOI-OOWVFKJZSA-N. The full InChI is InChI=1S/C30H28Cl3FN2O5/c1-5-40-28(39)29(2,3)41-25-11-8-16(31)12-19(25)21(15-26(37)35-4)30(22-13-17(32)7-10-23(22)34)20-9-6-18(33)14-24(20)36-27(30)38/h6-14,21H,5,15H2,1-4H3,(H,35,37)(H,36,38)/t21?,30-/m1/s1.
What are the key properties of ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate?
ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate has a molecular weight of 621.92 g/mol, XLogP of 6.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-2-[1-[(3S)-6-chloro-3-(5-chloro-2-fluorophenyl)-2-oxo-1H-indol-3-yl]-3-(methylamino)-3-oxopropyl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 143823339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).