N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide

C16H11Cl2N3O2 — CID 18368040

IUPACN-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)c2cc(Cl)ccn2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H11Cl2N3O2/c1-8(22)20-14-11-3-2-9(17)6-12(11)21-15(14)16(23)13-7-10(18)4-5-19-13/h2-7,21H,1H3,(H,20,22)
InChIKeyGCRJTJLJIWNDJP-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.06
Rot. Bonds3

About N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide

N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide (PubChem CID 18368040) has the molecular formula C16H11Cl2N3O2 and a molecular weight of 348.19 g/mol. Its IUPAC name is N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide
PubChem CID18368040
Molecular FormulaC16H11Cl2N3O2
Molecular Weight348.19 g/mol
Exact Mass347.02
IUPAC NameN-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)c2cc(Cl)ccn2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H11Cl2N3O2/c1-8(22)20-14-11-3-2-9(17)6-12(11)21-15(14)16(23)13-7-10(18)4-5-19-13/h2-7,21H,1H3,(H,20,22)
InChIKeyGCRJTJLJIWNDJP-UHFFFAOYSA-N
XLogP4.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide?
The IUPAC name of N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide (CID 18368040) is N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide is CC(=O)Nc1c(C(=O)c2cc(Cl)ccn2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide?
The InChIKey is GCRJTJLJIWNDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2/c1-8(22)20-14-11-3-2-9(17)6-12(11)21-15(14)16(23)13-7-10(18)4-5-19-13/h2-7,21H,1H3,(H,20,22).
What are the key properties of N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide?
N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide has a molecular weight of 348.19 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide is sourced from PubChem (CID 18368040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).