N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide

C19H13NO2 — CID 24676336

IUPACN-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide
SMILESC#Cc1cccc(NC(=O)c2occc2-c2ccccc2)c1
InChIInChI=1S/C19H13NO2/c1-2-14-7-6-10-16(13-14)20-19(21)18-17(11-12-22-18)15-8-4-3-5-9-15/h1,3-13H,(H,20,21)
InChIKeyQKSDCTSCRSVAMI-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.18
Rot. Bonds3

About N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide

N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide (PubChem CID 24676336) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide
PubChem CID24676336
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC NameN-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide
SMILESC#Cc1cccc(NC(=O)c2occc2-c2ccccc2)c1
InChIInChI=1S/C19H13NO2/c1-2-14-7-6-10-16(13-14)20-19(21)18-17(11-12-22-18)15-8-4-3-5-9-15/h1,3-13H,(H,20,21)
InChIKeyQKSDCTSCRSVAMI-UHFFFAOYSA-N
XLogP4.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
2-benzamido-N-(3-ethynylphenyl)benzamide
CID 43050120
5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide
CID 47242813
N-(3-ethynylphenyl)-2-iodobenzamide
CID 24676235
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-phenylfuran-2-carboxamide
CID 122193169
4,6-bis[(3-ethynylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;4,6-bis[(4-ethynylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;2,5-bis[(3-ethynylphenyl)carbamoyl]terephthalic acid;2,5-bis[(4-ethynylphenyl)carbamoyl]terephthalic acid;4-[(3-ethynylphenyl)carbamoyl]-6-[(4-ethynylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid;2-[(3-ethynylphenyl)carbamoyl]-5-[(4-ethynylphenyl)carbamoyl]terephthalic acid
CID 158130623
1-N,3-N-bis(3-ethynylphenyl)-5-[(3-ethynylphenyl)carbamoylamino]benzene-1,3-dicarboxamide
CID 59499518
N-(3-ethynylphenyl)-2,3-dihydroxybenzamide
CID 114343731
4-tert-butyl-N-(3-ethynylphenyl)benzamide
CID 60712469
N-(3-ethynylphenyl)-2-methylsulfanylbenzamide
CID 24676261
2-cyano-N-(3-ethynylphenyl)-2-phenylacetamide
CID 62877869
(1R,4R)-3-[(3-ethynylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 24987817

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide?
The IUPAC name of N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide (CID 24676336) is N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide is C#Cc1cccc(NC(=O)c2occc2-c2ccccc2)c1.
What is the InChIKey of N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide?
The InChIKey is QKSDCTSCRSVAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c1-2-14-7-6-10-16(13-14)20-19(21)18-17(11-12-22-18)15-8-4-3-5-9-15/h1,3-13H,(H,20,21).
What are the key properties of N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide?
N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 24676336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).