4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide

C16H19F2N3O3 — CID 167955654

IUPAC4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)C1(O)CCNC1
InChIInChI=1S/C16H19F2N3O3/c1-9(16(23)5-6-19-8-16)20-14(22)12-7-10-11(21-12)3-2-4-13(10)24-15(17)18/h2-4,7,9,15,19,21,23H,5-6,8H2,1H3,(H,20,22)
InChIKeyDTWHYLJBWITONR-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.61
Rot. Bonds5

About 4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide

4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 167955654) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID167955654
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)C1(O)CCNC1
InChIInChI=1S/C16H19F2N3O3/c1-9(16(23)5-6-19-8-16)20-14(22)12-7-10-11(21-12)3-2-4-13(10)24-15(17)18/h2-4,7,9,15,19,21,23H,5-6,8H2,1H3,(H,20,22)
InChIKeyDTWHYLJBWITONR-UHFFFAOYSA-N
XLogP1.61
TPSA86.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-4-methyl-1H-indole-2-carboxamide
CID 167801273
4-(difluoromethoxy)-N-pyridin-4-yl-1H-indole-2-carboxamide
CID 38427829
N-(2-cyclopentyl-2-hydroxyethyl)-4-(difluoromethoxy)-1H-indole-2-carboxamide
CID 111425708
methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate
CID 167809954
4-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 66841602
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 124861217
methyl (3S)-3-[(4-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 95933772
N-[(2S)-1-[[(2S)-4-(difluoromethoxy)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 166170236
1-[(4-fluoro-1H-indole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119168017
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-[2-[4-(difluoromethoxy)-1H-indol-2-yl]-2-oxoethyl]-4-methylpentanamide
CID 159682143
N-[(2S)-1-cyclopropyl-3-oxopropan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 167238193

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide (CID 167955654) is 4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide is CC(NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)C1(O)CCNC1.
What is the InChIKey of 4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is DTWHYLJBWITONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-9(16(23)5-6-19-8-16)20-14(22)12-7-10-11(21-12)3-2-4-13(10)24-15(17)18/h2-4,7,9,15,19,21,23H,5-6,8H2,1H3,(H,20,22).
What are the key properties of 4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide?
4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 339.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[1-(3-hydroxypyrrolidin-3-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 167955654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).