N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C15H15NO4 — CID 111477188

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)c1ccco1)C1Cc2ccccc2O1
InChIInChI=1S/C15H15NO4/c17-11(13-6-3-7-19-13)9-16-15(18)14-8-10-4-1-2-5-12(10)20-14/h1-7,11,14,17H,8-9H2,(H,16,18)
InChIKeyKDIDOELMHNHRJQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.43
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 111477188) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID111477188
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)c1ccco1)C1Cc2ccccc2O1
InChIInChI=1S/C15H15NO4/c17-11(13-6-3-7-19-13)9-16-15(18)14-8-10-4-1-2-5-12(10)20-14/h1-7,11,14,17H,8-9H2,(H,16,18)
InChIKeyKDIDOELMHNHRJQ-UHFFFAOYSA-N
XLogP1.43
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16649113
N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42943335
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111478299
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-[2-(furan-2-yl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 110889373
N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107158766
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43589376
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
(2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51927151

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 111477188) is N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCC(O)c1ccco1)C1Cc2ccccc2O1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is KDIDOELMHNHRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-11(13-6-3-7-19-13)9-16-15(18)14-8-10-4-1-2-5-12(10)20-14/h1-7,11,14,17H,8-9H2,(H,16,18).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111477188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).