3-carbamoyl-2-fluorobenzoic acid

C8H6FNO3 — CID 91004020

IUPAC3-carbamoyl-2-fluorobenzoic acid
SMILESNC(=O)c1cccc(C(=O)O)c1F
InChIInChI=1S/C8H6FNO3/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H2,10,11)(H,12,13)
InChIKeyCGYVUBOFZHZZKX-UHFFFAOYSA-N
MW183.14 g/mol
LogP0.62
Rot. Bonds2

About 3-carbamoyl-2-fluorobenzoic acid

3-carbamoyl-2-fluorobenzoic acid (PubChem CID 91004020) has the molecular formula C8H6FNO3 and a molecular weight of 183.14 g/mol. Its IUPAC name is 3-carbamoyl-2-fluorobenzoic acid.

Molecular Properties

Compound Name3-carbamoyl-2-fluorobenzoic acid
PubChem CID91004020
Molecular FormulaC8H6FNO3
Molecular Weight183.14 g/mol
Exact Mass183.03
IUPAC Name3-carbamoyl-2-fluorobenzoic acid
SMILESNC(=O)c1cccc(C(=O)O)c1F
InChIInChI=1S/C8H6FNO3/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H2,10,11)(H,12,13)
InChIKeyCGYVUBOFZHZZKX-UHFFFAOYSA-N
XLogP0.62
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-2-fluorobenzoic acid?
The IUPAC name of 3-carbamoyl-2-fluorobenzoic acid (CID 91004020) is 3-carbamoyl-2-fluorobenzoic acid.
What is the SMILES notation for 3-carbamoyl-2-fluorobenzoic acid?
The canonical SMILES for 3-carbamoyl-2-fluorobenzoic acid is NC(=O)c1cccc(C(=O)O)c1F.
What is the InChIKey of 3-carbamoyl-2-fluorobenzoic acid?
The InChIKey is CGYVUBOFZHZZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO3/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H2,10,11)(H,12,13).
What are the key properties of 3-carbamoyl-2-fluorobenzoic acid?
3-carbamoyl-2-fluorobenzoic acid has a molecular weight of 183.14 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-2-fluorobenzoic acid is sourced from PubChem (CID 91004020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).