N-(furan-2-ylmethyl)naphthalene-1-carboxamide

C16H13NO2 — CID 651840

IUPACN-(furan-2-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCc1ccco1)c1cccc2ccccc12
InChIInChI=1S/C16H13NO2/c18-16(17-11-13-7-4-10-19-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-10H,11H2,(H,17,18)
InChIKeyWAGGSZIYRDGEAX-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.36
Rot. Bonds3

About N-(furan-2-ylmethyl)naphthalene-1-carboxamide

N-(furan-2-ylmethyl)naphthalene-1-carboxamide (PubChem CID 651840) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)naphthalene-1-carboxamide
PubChem CID651840
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC NameN-(furan-2-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCc1ccco1)c1cccc2ccccc12
InChIInChI=1S/C16H13NO2/c18-16(17-11-13-7-4-10-19-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-10H,11H2,(H,17,18)
InChIKeyWAGGSZIYRDGEAX-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 ≤ 500251.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 674888
CID 674888
CID 236716
CID 236716
CID 347531
CID 347531
CID 732131
CID 732131
CID 2870264
CID 2870264
CID 674887
CID 674887
CID 692689
CID 692689
CID 784948
CID 784948
CID 16193996
CID 16193996
CID 39338
CID 39338
CID 240161
CID 240161
CID 127025784
CID 127025784

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)naphthalene-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)naphthalene-1-carboxamide (CID 651840) is N-(furan-2-ylmethyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)naphthalene-1-carboxamide is O=C(NCc1ccco1)c1cccc2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)naphthalene-1-carboxamide?
The InChIKey is WAGGSZIYRDGEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16(17-11-13-7-4-10-19-13)15-9-3-6-12-5-1-2-8-14(12)15/h1-10H,11H2,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)naphthalene-1-carboxamide?
N-(furan-2-ylmethyl)naphthalene-1-carboxamide has a molecular weight of 251.29 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-1-carboxamide is sourced from PubChem (CID 651840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).