N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide

C17H20F2N2O3 — CID 111425708

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1cc2c(OC(F)F)cccc2[nH]1
InChIInChI=1S/C17H20F2N2O3/c18-17(19)24-15-7-3-6-12-11(15)8-13(21-12)16(23)20-9-14(22)10-4-1-2-5-10/h3,6-8,10,14,17,21-22H,1-2,4-5,9H2,(H,20,23)
InChIKeyMPZRDEIEEREENW-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.05
Rot. Bonds6

About N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide

N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 111425708) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide
PubChem CID111425708
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1cc2c(OC(F)F)cccc2[nH]1
InChIInChI=1S/C17H20F2N2O3/c18-17(19)24-15-7-3-6-12-11(15)8-13(21-12)16(23)20-9-14(22)10-4-1-2-5-10/h3,6-8,10,14,17,21-22H,1-2,4-5,9H2,(H,20,23)
InChIKeyMPZRDEIEEREENW-UHFFFAOYSA-N
XLogP3.05
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide (CID 111425708) is N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide is O=C(NCC(O)C1CCCC1)c1cc2c(OC(F)F)cccc2[nH]1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is MPZRDEIEEREENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c18-17(19)24-15-7-3-6-12-11(15)8-13(21-12)16(23)20-9-14(22)10-4-1-2-5-10/h3,6-8,10,14,17,21-22H,1-2,4-5,9H2,(H,20,23).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 338.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 111425708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).