5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide

C20H16Cl2FN3O — CID 70919132

IUPAC5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1[nH]c2c(F)cc(Cl)cc2c1CCNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H16Cl2FN3O/c1-10-14(15-8-13(22)9-16(23)19(15)25-10)4-5-24-20(27)18-7-11-6-12(21)2-3-17(11)26-18/h2-3,6-9,25-26H,4-5H2,1H3,(H,24,27)
InChIKeyHTWWBPSRCXBZNQ-UHFFFAOYSA-N
MW404.27 g/mol
LogP5.38
Rot. Bonds4

About 5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide

5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 70919132) has the molecular formula C20H16Cl2FN3O and a molecular weight of 404.27 g/mol. Its IUPAC name is 5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID70919132
Molecular FormulaC20H16Cl2FN3O
Molecular Weight404.27 g/mol
Exact Mass403.07
IUPAC Name5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
SMILESCc1[nH]c2c(F)cc(Cl)cc2c1CCNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H16Cl2FN3O/c1-10-14(15-8-13(22)9-16(23)19(15)25-10)4-5-24-20(27)18-7-11-6-12(21)2-3-17(11)26-18/h2-3,6-9,25-26H,4-5H2,1H3,(H,24,27)
InChIKeyHTWWBPSRCXBZNQ-UHFFFAOYSA-N
XLogP5.38
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.27
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide (CID 70919132) is 5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide is Cc1[nH]c2c(F)cc(Cl)cc2c1CCNC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is HTWWBPSRCXBZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN3O/c1-10-14(15-8-13(22)9-16(23)19(15)25-10)4-5-24-20(27)18-7-11-6-12(21)2-3-17(11)26-18/h2-3,6-9,25-26H,4-5H2,1H3,(H,24,27).
What are the key properties of 5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 404.27 g/mol, XLogP of 5.38, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(5-chloro-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 70919132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).