LIWOJUJKVLFKLS-OAHLLOKOSA-N

Name: LIWOJUJKVLFKLS-OAHLLOKOSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₆ClF₂N₃O — CID 121393321

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]indole-3-carboxamide

SMILESO=C(NCC1CCC(F)(F)CC1)c1cn(C[C@H]2CCCN2)c2cccc(Cl)c12

InChIInChI=1S/C21H26ClF2N3O/c22-17-4-1-5-18-19(17)16(13-27(18)12-15-3-2-10-25-15)20(28)26-11-14-6-8-21(23,24)9-7-14/h1,4-5,13-15,25H,2-3,6-12H2,(H,26,28)/t15-/m1/s1

InChIKeyLIWOJUJKVLFKLS-OAHLLOKOSA-N

MW409.91 g/mol

LogP4.60

Rot. Bonds5

About LIWOJUJKVLFKLS-OAHLLOKOSA-N

LIWOJUJKVLFKLS-OAHLLOKOSA-N (PubChem CID 121393321) has the molecular formula C₂₁H₂₆ClF₂N₃O and a molecular weight of 409.91 g/mol. Its IUPAC name is 4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]indole-3-carboxamide.

Molecular Properties

Compound Name	LIWOJUJKVLFKLS-OAHLLOKOSA-N
PubChem CID	121393321
Molecular Formula	C₂₁H₂₆ClF₂N₃O
Molecular Weight	409.91 g/mol
Exact Mass	409.17
IUPAC Name	4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]indole-3-carboxamide
SMILES	O=C(NCC1CCC(F)(F)CC1)c1cn(C[C@H]2CCCN2)c2cccc(Cl)c12
InChI	InChI=1S/C21H26ClF2N3O/c22-17-4-1-5-18-19(17)16(13-27(18)12-15-3-2-10-25-15)20(28)26-11-14-6-8-21(23,24)9-7-14/h1,4-5,13-15,25H,2-3,6-12H2,(H,26,28)/t15-/m1/s1
InChIKey	LIWOJUJKVLFKLS-OAHLLOKOSA-N
XLogP	4.60
TPSA	46.06 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.91
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of LIWOJUJKVLFKLS-OAHLLOKOSA-N?

The IUPAC name of LIWOJUJKVLFKLS-OAHLLOKOSA-N (CID 121393321) is 4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[[(2R)-pyrrolidin-2-yl]methyl]indole-3-carboxamide.

What is the SMILES notation for LIWOJUJKVLFKLS-OAHLLOKOSA-N?

The canonical SMILES for LIWOJUJKVLFKLS-OAHLLOKOSA-N is O=C(NCC1CCC(F)(F)CC1)c1cn(C[C@H]2CCCN2)c2cccc(Cl)c12.

What is the InChIKey of LIWOJUJKVLFKLS-OAHLLOKOSA-N?

The InChIKey is LIWOJUJKVLFKLS-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26ClF2N3O/c22-17-4-1-5-18-19(17)16(13-27(18)12-15-3-2-10-25-15)20(28)26-11-14-6-8-21(23,24)9-7-14/h1,4-5,13-15,25H,2-3,6-12H2,(H,26,28)/t15-/m1/s1.

What are the key properties of LIWOJUJKVLFKLS-OAHLLOKOSA-N?

LIWOJUJKVLFKLS-OAHLLOKOSA-N has a molecular weight of 409.91 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for LIWOJUJKVLFKLS-OAHLLOKOSA-N is sourced from PubChem (CID 121393321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121393321 — identifiers, structure, computed properties (public domain)

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