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

C26H23N3O2 — CID 58694488

IUPAC4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
SMILESCCn1c(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C26H23N3O2/c1-4-29-24-15-21(31-3)13-14-22(24)23(16-27)25(29)18-7-9-19(10-8-18)26(30)28-20-11-5-17(2)6-12-20/h5-15H,4H2,1-3H3,(H,28,30)
InChIKeyGNQKNARWQWROOW-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.77
Rot. Bonds5

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

4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide (PubChem CID 58694488) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
PubChem CID58694488
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide
SMILESCCn1c(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C26H23N3O2/c1-4-29-24-15-21(31-3)13-14-22(24)23(16-27)25(29)18-7-9-19(10-8-18)26(30)28-20-11-5-17(2)6-12-20/h5-15H,4H2,1-3H3,(H,28,30)
InChIKeyGNQKNARWQWROOW-UHFFFAOYSA-N
XLogP5.77
TPSA67.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloroethyl)-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea
CID 59425419
2-methylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694187
4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide
CID 58694115
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425203
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea
CID 58694419
N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide
CID 58693933
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea;molecular hydrogen
CID 143184904
phenyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 58694220
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
methylcyclopropane;propan-2-yl N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]carbamate
CID 143185522

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide (CID 58694488) is 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide is CCn1c(-c2ccc(C(=O)Nc3ccc(C)cc3)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide?
The InChIKey is GNQKNARWQWROOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-4-29-24-15-21(31-3)13-14-22(24)23(16-27)25(29)18-7-9-19(10-8-18)26(30)28-20-11-5-17(2)6-12-20/h5-15H,4H2,1-3H3,(H,28,30).
What are the key properties of 4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide?
4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide has a molecular weight of 409.49 g/mol, XLogP of 5.77, 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-(4-methylphenyl)benzamide is sourced from PubChem (CID 58694488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).