N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide

C18H22ClF2N3O — CID 171519418

IUPACN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3CC(F)(F)CN3C)cc2cc1Cl
InChIInChI=1S/C18H22ClF2N3O/c1-10(2)13-6-15-11(5-14(13)19)4-12(23-15)8-22-17(25)16-7-18(20,21)9-24(16)3/h4-6,10,16,23H,7-9H2,1-3H3,(H,22,25)
InChIKeyFUUUWKVHVLOXCG-UHFFFAOYSA-N
MW369.84 g/mol
LogP3.90
Rot. Bonds4

About N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide (PubChem CID 171519418) has the molecular formula C18H22ClF2N3O and a molecular weight of 369.84 g/mol. Its IUPAC name is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide
PubChem CID171519418
Molecular FormulaC18H22ClF2N3O
Molecular Weight369.84 g/mol
Exact Mass369.14
IUPAC NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3CC(F)(F)CN3C)cc2cc1Cl
InChIInChI=1S/C18H22ClF2N3O/c1-10(2)13-6-15-11(5-14(13)19)4-12(23-15)8-22-17(25)16-7-18(20,21)9-24(16)3/h4-6,10,16,23H,7-9H2,1-3H3,(H,22,25)
InChIKeyFUUUWKVHVLOXCG-UHFFFAOYSA-N
XLogP3.90
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide (CID 171519418) is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide is CC(C)c1cc2[nH]c(CNC(=O)C3CC(F)(F)CN3C)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide?
The InChIKey is FUUUWKVHVLOXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF2N3O/c1-10(2)13-6-15-11(5-14(13)19)4-12(23-15)8-22-17(25)16-7-18(20,21)9-24(16)3/h4-6,10,16,23H,7-9H2,1-3H3,(H,22,25).
What are the key properties of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide?
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide has a molecular weight of 369.84 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 171519418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).