4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide

C17H15NO2 — CID 691566

IUPAC4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3ccccc3c2)oc1C
InChIInChI=1S/C17H15NO2/c1-11-9-16(20-12(11)2)17(19)18-15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3,(H,18,19)
InChIKeyRZWXIPHSWSQCFB-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.30
Rot. Bonds2

About 4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide

4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide (PubChem CID 691566) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide
PubChem CID691566
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3ccccc3c2)oc1C
InChIInChI=1S/C17H15NO2/c1-11-9-16(20-12(11)2)17(19)18-15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3,(H,18,19)
InChIKeyRZWXIPHSWSQCFB-UHFFFAOYSA-N
XLogP4.30
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide (CID 691566) is 4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide is Cc1cc(C(=O)Nc2ccc3ccccc3c2)oc1C.
What is the InChIKey of 4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide?
The InChIKey is RZWXIPHSWSQCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-9-16(20-12(11)2)17(19)18-15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3,(H,18,19).
What are the key properties of 4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide?
4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-naphthalen-2-ylfuran-2-carboxamide is sourced from PubChem (CID 691566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).