1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide

C20H26F2N2O3 — CID 131962261

IUPAC1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N(CCO)CC(F)F)c(C)n2C1CCCC1
InChIInChI=1S/C20H26F2N2O3/c1-13-19(20(26)23(9-10-25)12-18(21)22)16-11-15(27-2)7-8-17(16)24(13)14-5-3-4-6-14/h7-8,11,14,18,25H,3-6,9-10,12H2,1-2H3
InChIKeyLTDVRPPNNUQECO-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.77
Rot. Bonds7

About 1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide

1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide (PubChem CID 131962261) has the molecular formula C20H26F2N2O3 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide
PubChem CID131962261
Molecular FormulaC20H26F2N2O3
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Name1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)N(CCO)CC(F)F)c(C)n2C1CCCC1
InChIInChI=1S/C20H26F2N2O3/c1-13-19(20(26)23(9-10-25)12-18(21)22)16-11-15(27-2)7-8-17(16)24(13)14-5-3-4-6-14/h7-8,11,14,18,25H,3-6,9-10,12H2,1-2H3
InChIKeyLTDVRPPNNUQECO-UHFFFAOYSA-N
XLogP3.77
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide (CID 131962261) is 1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)N(CCO)CC(F)F)c(C)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide?
The InChIKey is LTDVRPPNNUQECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O3/c1-13-19(20(26)23(9-10-25)12-18(21)22)16-11-15(27-2)7-8-17(16)24(13)14-5-3-4-6-14/h7-8,11,14,18,25H,3-6,9-10,12H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide?
1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide is sourced from PubChem (CID 131962261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).