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

C24H19ClN2O3 — CID 121473591

IUPAC7-chloro-3-[2-(6-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2cc1OCC(=O)c1c[nH]c2cc(C3CC3)ccc12
InChIInChI=1S/C24H19ClN2O3/c25-17-5-3-15-10-23(19(24(26)29)8-16(15)7-17)30-12-22(28)20-11-27-21-9-14(13-1-2-13)4-6-18(20)21/h3-11,13,27H,1-2,12H2,(H2,26,29)
InChIKeyGXBHTIQFCBEPQI-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.21
Rot. Bonds6

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

7-chloro-3-[2-(6-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 121473591) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is 7-chloro-3-[2-(6-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-[2-(6-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
PubChem CID121473591
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name7-chloro-3-[2-(6-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide
SMILESNC(=O)c1cc2cc(Cl)ccc2cc1OCC(=O)c1c[nH]c2cc(C3CC3)ccc12
InChIInChI=1S/C24H19ClN2O3/c25-17-5-3-15-10-23(19(24(26)29)8-16(15)7-17)30-12-22(28)20-11-27-21-9-14(13-1-2-13)4-6-18(20)21/h3-11,13,27H,1-2,12H2,(H2,26,29)
InChIKeyGXBHTIQFCBEPQI-UHFFFAOYSA-N
XLogP5.21
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-(6-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
The IUPAC name of 7-chloro-3-[2-(6-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide (CID 121473591) is 7-chloro-3-[2-(6-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for 7-chloro-3-[2-(6-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
The canonical SMILES for 7-chloro-3-[2-(6-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide is NC(=O)c1cc2cc(Cl)ccc2cc1OCC(=O)c1c[nH]c2cc(C3CC3)ccc12.
What is the InChIKey of 7-chloro-3-[2-(6-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
The InChIKey is GXBHTIQFCBEPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c25-17-5-3-15-10-23(19(24(26)29)8-16(15)7-17)30-12-22(28)20-11-27-21-9-14(13-1-2-13)4-6-18(20)21/h3-11,13,27H,1-2,12H2,(H2,26,29).
What are the key properties of 7-chloro-3-[2-(6-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
7-chloro-3-[2-(6-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 5.21, 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-cyclopropyl-1H-indol-3-yl)-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 121473591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).