N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C14H13NO3 — CID 16649113

IUPACN-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccco1)C1Cc2ccccc2O1
InChIInChI=1S/C14H13NO3/c16-14(15-9-11-5-3-7-17-11)13-8-10-4-1-2-6-12(10)18-13/h1-7,13H,8-9H2,(H,15,16)
InChIKeyCDEGILPQSUWBFB-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.90
Rot. Bonds3

About N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 16649113) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID16649113
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC NameN-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccco1)C1Cc2ccccc2O1
InChIInChI=1S/C14H13NO3/c16-14(15-9-11-5-3-7-17-11)13-8-10-4-1-2-6-12(10)18-13/h1-7,13H,8-9H2,(H,15,16)
InChIKeyCDEGILPQSUWBFB-UHFFFAOYSA-N
XLogP1.90
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111477188
(2R)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074101
N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42943335
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 112522518
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43589376
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42896023
(2R)-N-(furan-2-ylmethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 30394029
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9079755
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

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 16649113) is N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCc1ccco1)C1Cc2ccccc2O1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is CDEGILPQSUWBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c16-14(15-9-11-5-3-7-17-11)13-8-10-4-1-2-6-12(10)18-13/h1-7,13H,8-9H2,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 243.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16649113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).