N-(furan-2-ylmethyl)naphthalene-2-carboxamide

C16H13NO2 — CID 692689

IUPACN-(furan-2-ylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2ccccc2c1
InChIInChI=1S/C16H13NO2/c18-16(17-11-15-6-3-9-19-15)14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2,(H,17,18)
InChIKeyCJDMVENJNCXEOZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.36
Rot. Bonds3

About N-(furan-2-ylmethyl)naphthalene-2-carboxamide

N-(furan-2-ylmethyl)naphthalene-2-carboxamide (PubChem CID 692689) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)naphthalene-2-carboxamide
PubChem CID692689
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC NameN-(furan-2-ylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2ccccc2c1
InChIInChI=1S/C16H13NO2/c18-16(17-11-15-6-3-9-19-15)14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2,(H,17,18)
InChIKeyCJDMVENJNCXEOZ-UHFFFAOYSA-N
XLogP3.36
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(furan-2-ylmethyl)naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)naphthalene-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)naphthalene-2-carboxamide (CID 692689) is N-(furan-2-ylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)naphthalene-2-carboxamide is O=C(NCc1ccco1)c1ccc2ccccc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)naphthalene-2-carboxamide?
The InChIKey is CJDMVENJNCXEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16(17-11-15-6-3-9-19-15)14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)naphthalene-2-carboxamide?
N-(furan-2-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 251.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 692689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).