4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide

C23H25Cl2N3O2 — CID 44535922

IUPAC4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
SMILESCOc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NCCC1CCCN1C
InChIInChI=1S/C23H25Cl2N3O2/c1-28-9-3-4-16(28)7-8-26-23(29)17-6-5-14(12-22(17)30-2)20-11-15-10-18(24)19(25)13-21(15)27-20/h5-6,10-13,16,27H,3-4,7-9H2,1-2H3,(H,26,29)
InChIKeyYOKVMHQAQPQLGB-UHFFFAOYSA-N
MW446.38 g/mol
LogP5.36
Rot. Bonds6

About 4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide

4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide (PubChem CID 44535922) has the molecular formula C23H25Cl2N3O2 and a molecular weight of 446.38 g/mol. Its IUPAC name is 4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
PubChem CID44535922
Molecular FormulaC23H25Cl2N3O2
Molecular Weight446.38 g/mol
Exact Mass445.13
IUPAC Name4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
SMILESCOc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NCCC1CCCN1C
InChIInChI=1S/C23H25Cl2N3O2/c1-28-9-3-4-16(28)7-8-26-23(29)17-6-5-14(12-22(17)30-2)20-11-15-10-18(24)19(25)13-21(15)27-20/h5-6,10-13,16,27H,3-4,7-9H2,1-2H3,(H,26,29)
InChIKeyYOKVMHQAQPQLGB-UHFFFAOYSA-N
XLogP5.36
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.38
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide?
The IUPAC name of 4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide (CID 44535922) is 4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide is COc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NCCC1CCCN1C.
What is the InChIKey of 4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide?
The InChIKey is YOKVMHQAQPQLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O2/c1-28-9-3-4-16(28)7-8-26-23(29)17-6-5-14(12-22(17)30-2)20-11-15-10-18(24)19(25)13-21(15)27-20/h5-6,10-13,16,27H,3-4,7-9H2,1-2H3,(H,26,29).
What are the key properties of 4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide?
4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide has a molecular weight of 446.38 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide is sourced from PubChem (CID 44535922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).