N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide

C15H17F2NO2 — CID 164631263

IUPACN-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(NC[C@H]1CCCC1(F)F)c1ccc2c(c1)COC2
InChIInChI=1S/C15H17F2NO2/c16-15(17)5-1-2-13(15)7-18-14(19)10-3-4-11-8-20-9-12(11)6-10/h3-4,6,13H,1-2,5,7-9H2,(H,18,19)/t13-/m1/s1
InChIKeyXWSVENBTZQZYGU-CYBMUJFWSA-N
MW281.30 g/mol
LogP2.88
Rot. Bonds3

About N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 164631263) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID164631263
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC NameN-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(NC[C@H]1CCCC1(F)F)c1ccc2c(c1)COC2
InChIInChI=1S/C15H17F2NO2/c16-15(17)5-1-2-13(15)7-18-14(19)10-3-4-11-8-20-9-12(11)6-10/h3-4,6,13H,1-2,5,7-9H2,(H,18,19)/t13-/m1/s1
InChIKeyXWSVENBTZQZYGU-CYBMUJFWSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 164629350
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 103800446
N-(4-bromobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106846002
N-(2-chloroethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744532
N-[(6-methylpiperidin-3-yl)methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63733501
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 107231658
N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192019
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128
1-(1,3-dihydro-2-benzofuran-5-carbonylamino)cyclopropane-1-carboxylic acid
CID 65452808
N-(4-aminobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732460
N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 103843199

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 164631263) is N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide is O=C(NC[C@H]1CCCC1(F)F)c1ccc2c(c1)COC2.
What is the InChIKey of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is XWSVENBTZQZYGU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17F2NO2/c16-15(17)5-1-2-13(15)7-18-14(19)10-3-4-11-8-20-9-12(11)6-10/h3-4,6,13H,1-2,5,7-9H2,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 281.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 164631263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).