5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide

C25H22ClN3O3 — CID 24578794

IUPAC5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
SMILESO=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C25H22ClN3O3/c26-18-10-11-23(21(14-18)25(31)29-19-6-2-1-3-7-19)32-16-24(30)27-13-12-17-15-28-22-9-5-4-8-20(17)22/h1-11,14-15,28H,12-13,16H2,(H,27,30)(H,29,31)
InChIKeyMBNXUBWUCMZJNG-UHFFFAOYSA-N
MW447.92 g/mol
LogP4.81
Rot. Bonds8

About 5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide

5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 24578794) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is 5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
PubChem CID24578794
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC Name5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide
SMILESO=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C25H22ClN3O3/c26-18-10-11-23(21(14-18)25(31)29-19-6-2-1-3-7-19)32-16-24(30)27-13-12-17-15-28-22-9-5-4-8-20(17)22/h1-11,14-15,28H,12-13,16H2,(H,27,30)(H,29,31)
InChIKeyMBNXUBWUCMZJNG-UHFFFAOYSA-N
XLogP4.81
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
2-(2,5-dichloroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002516
5-chloro-2-[2-(cyclohexylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893364
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
N-[2-(1H-indol-3-yl)ethyl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 17403987
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 24563218
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
2-(3-fluoro-4-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17433243
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide (CID 24578794) is 5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide is O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is MBNXUBWUCMZJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c26-18-10-11-23(21(14-18)25(31)29-19-6-2-1-3-7-19)32-16-24(30)27-13-12-17-15-28-22-9-5-4-8-20(17)22/h1-11,14-15,28H,12-13,16H2,(H,27,30)(H,29,31).
What are the key properties of 5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide?
5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 447.92 g/mol, XLogP of 4.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 24578794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).