N-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide

C19H15NO3 — CID 742991

IUPACN-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide
SMILESO=C(NCc1ccco1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H15NO3/c21-19(20-12-13-6-5-11-22-13)18-14-7-1-3-9-16(14)23-17-10-4-2-8-15(17)18/h1-11,18H,12H2,(H,20,21)
InChIKeyWUVVBFXXIYVICI-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.83
Rot. Bonds3

About N-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide

N-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide (PubChem CID 742991) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide
PubChem CID742991
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC NameN-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide
SMILESO=C(NCc1ccco1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H15NO3/c21-19(20-12-13-6-5-11-22-13)18-14-7-1-3-9-16(14)23-17-10-4-2-8-15(17)18/h1-11,18H,12H2,(H,20,21)
InChIKeyWUVVBFXXIYVICI-UHFFFAOYSA-N
XLogP3.83
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide (CID 742991) is N-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide is O=C(NCc1ccco1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide?
The InChIKey is WUVVBFXXIYVICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-19(20-12-13-6-5-11-22-13)18-14-7-1-3-9-16(14)23-17-10-4-2-8-15(17)18/h1-11,18H,12H2,(H,20,21).
What are the key properties of N-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide?
N-(furan-2-ylmethyl)-9H-xanthene-9-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 3.83, 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)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 742991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).