4-fluoronaphthalene-1,2-dicarboxamide

C12H9FN2O2 — CID 91070556

IUPAC4-fluoronaphthalene-1,2-dicarboxamide
SMILESNC(=O)c1cc(F)c2ccccc2c1C(N)=O
InChIInChI=1S/C12H9FN2O2/c13-9-5-8(11(14)16)10(12(15)17)7-4-2-1-3-6(7)9/h1-5H,(H2,14,16)(H2,15,17)
InChIKeyWCEGDTVNGDAVDU-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.18
Rot. Bonds2

About 4-fluoronaphthalene-1,2-dicarboxamide

4-fluoronaphthalene-1,2-dicarboxamide (PubChem CID 91070556) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 4-fluoronaphthalene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-fluoronaphthalene-1,2-dicarboxamide
PubChem CID91070556
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name4-fluoronaphthalene-1,2-dicarboxamide
SMILESNC(=O)c1cc(F)c2ccccc2c1C(N)=O
InChIInChI=1S/C12H9FN2O2/c13-9-5-8(11(14)16)10(12(15)17)7-4-2-1-3-6(7)9/h1-5H,(H2,14,16)(H2,15,17)
InChIKeyWCEGDTVNGDAVDU-UHFFFAOYSA-N
XLogP1.18
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoronaphthalene-1,2-dicarboxamide?
The IUPAC name of 4-fluoronaphthalene-1,2-dicarboxamide (CID 91070556) is 4-fluoronaphthalene-1,2-dicarboxamide.
What is the SMILES notation for 4-fluoronaphthalene-1,2-dicarboxamide?
The canonical SMILES for 4-fluoronaphthalene-1,2-dicarboxamide is NC(=O)c1cc(F)c2ccccc2c1C(N)=O.
What is the InChIKey of 4-fluoronaphthalene-1,2-dicarboxamide?
The InChIKey is WCEGDTVNGDAVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c13-9-5-8(11(14)16)10(12(15)17)7-4-2-1-3-6(7)9/h1-5H,(H2,14,16)(H2,15,17).
What are the key properties of 4-fluoronaphthalene-1,2-dicarboxamide?
4-fluoronaphthalene-1,2-dicarboxamide has a molecular weight of 232.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoronaphthalene-1,2-dicarboxamide is sourced from PubChem (CID 91070556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).