N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide

C17H19ClF2N2O2 — CID 171519036

IUPACN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3OCCC3(F)F)cc2cc1Cl
InChIInChI=1S/C17H19ClF2N2O2/c1-9(2)12-7-14-10(6-13(12)18)5-11(22-14)8-21-16(23)15-17(19,20)3-4-24-15/h5-7,9,15,22H,3-4,8H2,1-2H3,(H,21,23)
InChIKeyFRLWERJFBPUMGR-UHFFFAOYSA-N
MW356.80 g/mol
LogP3.99
Rot. Bonds4

About N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide (PubChem CID 171519036) has the molecular formula C17H19ClF2N2O2 and a molecular weight of 356.80 g/mol. Its IUPAC name is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide
PubChem CID171519036
Molecular FormulaC17H19ClF2N2O2
Molecular Weight356.80 g/mol
Exact Mass356.11
IUPAC NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3OCCC3(F)F)cc2cc1Cl
InChIInChI=1S/C17H19ClF2N2O2/c1-9(2)12-7-14-10(6-13(12)18)5-11(22-14)8-21-16(23)15-17(19,20)3-4-24-15/h5-7,9,15,22H,3-4,8H2,1-2H3,(H,21,23)
InChIKeyFRLWERJFBPUMGR-UHFFFAOYSA-N
XLogP3.99
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.80
LogP ≤ 53.99
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]-3,3-difluorooxolane-2-carboxamide?
The IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide (CID 171519036) is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide?
The canonical SMILES for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide is CC(C)c1cc2[nH]c(CNC(=O)C3OCCC3(F)F)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide?
The InChIKey is FRLWERJFBPUMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF2N2O2/c1-9(2)12-7-14-10(6-13(12)18)5-11(22-14)8-21-16(23)15-17(19,20)3-4-24-15/h5-7,9,15,22H,3-4,8H2,1-2H3,(H,21,23).
What are the key properties of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide?
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3,3-difluorooxolane-2-carboxamide has a molecular weight of 356.80 g/mol, XLogP of 3.99, 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]-3,3-difluorooxolane-2-carboxamide is sourced from PubChem (CID 171519036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).