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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Related Compounds

methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate
CID 167809954
4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide
CID 38427829
4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide
CID 167955654
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
CID 111425752
3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 97218721
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide
CID 111451520
4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 7554172
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823
N-[(2S)-1-cyclopropyl-3-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167238193
4-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 66841602
N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methoxy-1H-indole-2-carboxamide
CID 7646480

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).