7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide

C27H27ClN2O3 — CID 145117768

IUPAC7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide
SMILESCCCn1cc(C(=O)COc2cc3ccc(Cl)cc3cc2C(N)=O)c2ccc(C(C)C)cc21
InChIInChI=1S/C27H27ClN2O3/c1-4-9-30-14-23(21-8-6-17(16(2)3)12-24(21)30)25(31)15-33-26-13-18-5-7-20(28)10-19(18)11-22(26)27(29)32/h5-8,10-14,16H,4,9,15H2,1-3H3,(H2,29,32)
InChIKeyWKTZHLFVZIXSEC-UHFFFAOYSA-N
MW462.98 g/mol
LogP6.34
Rot. Bonds8

About 7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide

7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide (PubChem CID 145117768) has the molecular formula C27H27ClN2O3 and a molecular weight of 462.98 g/mol. Its IUPAC name is 7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide
PubChem CID145117768
Molecular FormulaC27H27ClN2O3
Molecular Weight462.98 g/mol
Exact Mass462.17
IUPAC Name7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide
SMILESCCCn1cc(C(=O)COc2cc3ccc(Cl)cc3cc2C(N)=O)c2ccc(C(C)C)cc21
InChIInChI=1S/C27H27ClN2O3/c1-4-9-30-14-23(21-8-6-17(16(2)3)12-24(21)30)25(31)15-33-26-13-18-5-7-20(28)10-19(18)11-22(26)27(29)32/h5-8,10-14,16H,4,9,15H2,1-3H3,(H2,29,32)
InChIKeyWKTZHLFVZIXSEC-UHFFFAOYSA-N
XLogP6.34
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.98
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide?
The IUPAC name of 7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide (CID 145117768) is 7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for 7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide?
The canonical SMILES for 7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide is CCCn1cc(C(=O)COc2cc3ccc(Cl)cc3cc2C(N)=O)c2ccc(C(C)C)cc21.
What is the InChIKey of 7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide?
The InChIKey is WKTZHLFVZIXSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O3/c1-4-9-30-14-23(21-8-6-17(16(2)3)12-24(21)30)25(31)15-33-26-13-18-5-7-20(28)10-19(18)11-22(26)27(29)32/h5-8,10-14,16H,4,9,15H2,1-3H3,(H2,29,32).
What are the key properties of 7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide?
7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide has a molecular weight of 462.98 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-oxo-2-(6-propan-2-yl-1-propylindol-3-yl)ethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 145117768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).