3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide

C26H25ClN2O3 — CID 29204639

IUPAC3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide
SMILESCCOc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C26H25ClN2O3/c1-3-32-24-12-11-17(14-25(24)31-2)21(22-16-28-23-10-5-4-9-20(22)23)15-29-26(30)18-7-6-8-19(27)13-18/h4-14,16,21,28H,3,15H2,1-2H3,(H,29,30)/t21-/m1/s1
InChIKeyQNHJUKRXAAZLSN-OAQYLSRUSA-N
MW448.95 g/mol
LogP5.79
Rot. Bonds8

About 3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide

3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 29204639) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID29204639
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC Name3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide
SMILESCCOc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)c2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C26H25ClN2O3/c1-3-32-24-12-11-17(14-25(24)31-2)21(22-16-28-23-10-5-4-9-20(22)23)15-29-26(30)18-7-6-8-19(27)13-18/h4-14,16,21,28H,3,15H2,1-2H3,(H,29,30)/t21-/m1/s1
InChIKeyQNHJUKRXAAZLSN-OAQYLSRUSA-N
XLogP5.79
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 46521063
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 29204635
3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130101
N-[2-[[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26996376
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119692889
N-[(2S)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 35573472
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 60606874
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide
CID 17013073
1-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47014420
N-[2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 55435875
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide (CID 29204639) is 3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide is CCOc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)c2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of 3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is QNHJUKRXAAZLSN-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c1-3-32-24-12-11-17(14-25(24)31-2)21(22-16-28-23-10-5-4-9-20(22)23)15-29-26(30)18-7-6-8-19(27)13-18/h4-14,16,21,28H,3,15H2,1-2H3,(H,29,30)/t21-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide?
3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 448.95 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 29204639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).