4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide

C25H19Cl2N3O2 — CID 58694436

IUPAC4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide
SMILESCCn1c(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H19Cl2N3O2/c1-3-30-23-13-18(32-2)9-10-19(23)20(14-28)24(30)15-4-6-16(7-5-15)25(31)29-17-8-11-21(26)22(27)12-17/h4-13H,3H2,1-2H3,(H,29,31)
InChIKeyQEJXDYQRRIGQKC-UHFFFAOYSA-N
MW464.35 g/mol
LogP6.77
Rot. Bonds5

About 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide

4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide (PubChem CID 58694436) has the molecular formula C25H19Cl2N3O2 and a molecular weight of 464.35 g/mol. Its IUPAC name is 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide
PubChem CID58694436
Molecular FormulaC25H19Cl2N3O2
Molecular Weight464.35 g/mol
Exact Mass463.09
IUPAC Name4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide
SMILESCCn1c(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H19Cl2N3O2/c1-3-30-23-13-18(32-2)9-10-19(23)20(14-28)24(30)15-4-6-16(7-5-15)25(31)29-17-8-11-21(26)22(27)12-17/h4-13H,3H2,1-2H3,(H,29,31)
InChIKeyQEJXDYQRRIGQKC-UHFFFAOYSA-N
XLogP6.77
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.35
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide?
The IUPAC name of 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide (CID 58694436) is 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide.
What is the SMILES notation for 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide?
The canonical SMILES for 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide is CCn1c(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide?
The InChIKey is QEJXDYQRRIGQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3O2/c1-3-30-23-13-18(32-2)9-10-19(23)20(14-28)24(30)15-4-6-16(7-5-15)25(31)29-17-8-11-21(26)22(27)12-17/h4-13H,3H2,1-2H3,(H,29,31).
What are the key properties of 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide?
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide has a molecular weight of 464.35 g/mol, XLogP of 6.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide is sourced from PubChem (CID 58694436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).