ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate

C25H21ClN2O5 — CID 143840555

IUPACethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Oc2ccc(NC(=O)c3cc4cc(O)ccc4[nH]3)cc2)c(Cl)c1
InChIInChI=1S/C25H21ClN2O5/c1-2-32-24(30)12-15-3-10-23(20(26)11-15)33-19-7-4-17(5-8-19)27-25(31)22-14-16-13-18(29)6-9-21(16)28-22/h3-11,13-14,28-29H,2,12H2,1H3,(H,27,31)
InChIKeyUEZAASJFYJFHSI-UHFFFAOYSA-N
MW464.91 g/mol
LogP5.68
Rot. Bonds7

About ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate

ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate (PubChem CID 143840555) has the molecular formula C25H21ClN2O5 and a molecular weight of 464.91 g/mol. Its IUPAC name is ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate
PubChem CID143840555
Molecular FormulaC25H21ClN2O5
Molecular Weight464.91 g/mol
Exact Mass464.11
IUPAC Nameethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Oc2ccc(NC(=O)c3cc4cc(O)ccc4[nH]3)cc2)c(Cl)c1
InChIInChI=1S/C25H21ClN2O5/c1-2-32-24(30)12-15-3-10-23(20(26)11-15)33-19-7-4-17(5-8-19)27-25(31)22-14-16-13-18(29)6-9-21(16)28-22/h3-11,13-14,28-29H,2,12H2,1H3,(H,27,31)
InChIKeyUEZAASJFYJFHSI-UHFFFAOYSA-N
XLogP5.68
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.91
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-chloro-4-[4-[(6-methoxy-1H-benzimidazole-2-carbonyl)amino]phenoxy]phenyl]acetate
CID 70984920
ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate
CID 70984916
ethyl 2-[4-[4-[(5-bromo-1-benzofuran-2-carbonyl)amino]phenoxy]-3-chlorophenyl]acetate
CID 70985035
ethyl 2-[3-chloro-4-[4-(6,7-dihydro-1H-benzimidazole-2-carbonylamino)phenoxy]phenyl]acetate
CID 143840537
ethyl 2-[3-chloro-4-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetate
CID 70985006
ethyl 2-[4-(4-amino-3-methylphenoxy)-3-chlorophenyl]acetate
CID 89159471
ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate
CID 70985038
methyl 2-[[2-[4-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 60556151
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
2-[3-chloro-4-[4-[(6-chloro-1H-benzimidazole-2-carbonyl)amino]phenoxy]phenyl]acetic acid
CID 143840471
5-hydroxy-1H-indole-2-carbohydrazide
CID 10877952
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate?
The IUPAC name of ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate (CID 143840555) is ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate is CCOC(=O)Cc1ccc(Oc2ccc(NC(=O)c3cc4cc(O)ccc4[nH]3)cc2)c(Cl)c1.
What is the InChIKey of ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate?
The InChIKey is UEZAASJFYJFHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O5/c1-2-32-24(30)12-15-3-10-23(20(26)11-15)33-19-7-4-17(5-8-19)27-25(31)22-14-16-13-18(29)6-9-21(16)28-22/h3-11,13-14,28-29H,2,12H2,1H3,(H,27,31).
What are the key properties of ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate?
ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate has a molecular weight of 464.91 g/mol, XLogP of 5.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate is sourced from PubChem (CID 143840555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).