N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide

C14H16N2O3 — CID 114760777

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(O)CCNC1)c1cc2ccccc2o1
InChIInChI=1S/C14H16N2O3/c17-13(16-9-14(18)5-6-15-8-14)12-7-10-3-1-2-4-11(10)19-12/h1-4,7,15,18H,5-6,8-9H2,(H,16,17)
InChIKeyMOTISPVFLCDTTD-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.89
Rot. Bonds3

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 114760777) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID114760777
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(O)CCNC1)c1cc2ccccc2o1
InChIInChI=1S/C14H16N2O3/c17-13(16-9-14(18)5-6-15-8-14)12-7-10-3-1-2-4-11(10)19-12/h1-4,7,15,18H,5-6,8-9H2,(H,16,17)
InChIKeyMOTISPVFLCDTTD-UHFFFAOYSA-N
XLogP0.89
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114758782
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 114758419
N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 136534123
N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]-1-benzofuran-2-carboxamide
CID 131702310
1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea
CID 124523480
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 95730410
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone
CID 114736543
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone
CID 114736550
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide (CID 114760777) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide is O=C(NCC1(O)CCNC1)c1cc2ccccc2o1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is MOTISPVFLCDTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(16-9-14(18)5-6-15-8-14)12-7-10-3-1-2-4-11(10)19-12/h1-4,7,15,18H,5-6,8-9H2,(H,16,17).
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 114760777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).