2-fluorobenzene-1,3-dicarboxamide

C8H7FN2O2 — CID 2805718

IUPAC2-fluorobenzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1F
InChIInChI=1S/C8H7FN2O2/c9-6-4(7(10)12)2-1-3-5(6)8(11)13/h1-3H,(H2,10,12)(H2,11,13)
InChIKeyPJLIPQLXMCEXEA-UHFFFAOYSA-N
MW182.15 g/mol
LogP0.02
Rot. Bonds2

About 2-fluorobenzene-1,3-dicarboxamide

2-fluorobenzene-1,3-dicarboxamide (PubChem CID 2805718) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 2-fluorobenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-fluorobenzene-1,3-dicarboxamide
PubChem CID2805718
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name2-fluorobenzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1F
InChIInChI=1S/C8H7FN2O2/c9-6-4(7(10)12)2-1-3-5(6)8(11)13/h1-3H,(H2,10,12)(H2,11,13)
InChIKeyPJLIPQLXMCEXEA-UHFFFAOYSA-N
XLogP0.02
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluorobenzene-1,3-dicarboxamide?
The IUPAC name of 2-fluorobenzene-1,3-dicarboxamide (CID 2805718) is 2-fluorobenzene-1,3-dicarboxamide.
What is the SMILES notation for 2-fluorobenzene-1,3-dicarboxamide?
The canonical SMILES for 2-fluorobenzene-1,3-dicarboxamide is NC(=O)c1cccc(C(N)=O)c1F.
What is the InChIKey of 2-fluorobenzene-1,3-dicarboxamide?
The InChIKey is PJLIPQLXMCEXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c9-6-4(7(10)12)2-1-3-5(6)8(11)13/h1-3H,(H2,10,12)(H2,11,13).
What are the key properties of 2-fluorobenzene-1,3-dicarboxamide?
2-fluorobenzene-1,3-dicarboxamide has a molecular weight of 182.15 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobenzene-1,3-dicarboxamide is sourced from PubChem (CID 2805718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).