7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide

C23H17ClN2O3 — CID 121473532

IUPAC7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
SMILESC=Cc1ccc2c(C(=O)COc3cc4ccc(Cl)cc4cc3C(N)=O)c[nH]c2c1
InChIInChI=1S/C23H17ClN2O3/c1-2-13-3-6-17-19(11-26-20(17)7-13)21(27)12-29-22-10-14-4-5-16(24)8-15(14)9-18(22)23(25)28/h2-11,26H,1,12H2,(H2,25,28)
InChIKeyZZDXJZYSSCJPTD-UHFFFAOYSA-N
MW404.85 g/mol
LogP4.98
Rot. Bonds6

About 7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide

7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 121473532) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is 7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
PubChem CID121473532
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC Name7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
SMILESC=Cc1ccc2c(C(=O)COc3cc4ccc(Cl)cc4cc3C(N)=O)c[nH]c2c1
InChIInChI=1S/C23H17ClN2O3/c1-2-13-3-6-17-19(11-26-20(17)7-13)21(27)12-29-22-10-14-4-5-16(24)8-15(14)9-18(22)23(25)28/h2-11,26H,1,12H2,(H2,25,28)
InChIKeyZZDXJZYSSCJPTD-UHFFFAOYSA-N
XLogP4.98
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-[2-(6-chloro-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473674
7-chloro-3-[2-oxo-2-[6-(1,2,4-triazin-6-yloxy)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
CID 145117902
7-chloro-3-[2-oxo-2-[6-(pyridin-2-ylmethyl)-1H-indol-3-yl]ethoxy]naphthalene-2-carboxamide
CID 121473348
7-chloro-3-[2-(6-cyano-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473662
2-[3-(1-aminoethenyl)-6-chloronaphthalen-2-yl]oxy-1-[6-[(2-methyl-3-pyridinyl)oxy]-1H-indol-3-yl]ethanone
CID 145117875
6-chloro-1H-indole-3-carboxamide
CID 130666489
7-chloro-3-[2-[6-cyclopropyl-1-[(2R)-2-hydroxy-3-(2-hydroxyethylamino)-3-oxopropyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473736
7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide
CID 145117768
7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473606
7-chloro-3-[2-[6-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473456
7-chloro-3-[2-[1-[2-(methylamino)-2-oxoethyl]-6-pyridin-3-yloxyindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121475015
7-chloro-3-[2-[6-cyclopropyl-1-[(3R)-3,4-dihydroxy-4-methylpentyl]indol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473716

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
The IUPAC name of 7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide (CID 121473532) is 7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for 7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
The canonical SMILES for 7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide is C=Cc1ccc2c(C(=O)COc3cc4ccc(Cl)cc4cc3C(N)=O)c[nH]c2c1.
What is the InChIKey of 7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
The InChIKey is ZZDXJZYSSCJPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c1-2-13-3-6-17-19(11-26-20(17)7-13)21(27)12-29-22-10-14-4-5-16(24)8-15(14)9-18(22)23(25)28/h2-11,26H,1,12H2,(H2,25,28).
What are the key properties of 7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-(6-ethenyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 121473532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).