3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

C15H15F2NO3 — CID 2932478

IUPAC3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C15H15F2NO3/c16-9-3-4-10(17)11(6-9)18-14(19)12-7-1-2-8(5-7)13(12)15(20)21/h3-4,6-8,12-13H,1-2,5H2,(H,18,19)(H,20,21)
InChIKeyNBBSMNFWTJSSCN-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.65
Rot. Bonds3

About 3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 2932478) has the molecular formula C15H15F2NO3 and a molecular weight of 295.28 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID2932478
Molecular FormulaC15H15F2NO3
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C15H15F2NO3/c16-9-3-4-10(17)11(6-9)18-14(19)12-7-1-2-8(5-7)13(12)15(20)21/h3-4,6-8,12-13H,1-2,5H2,(H,18,19)(H,20,21)
InChIKeyNBBSMNFWTJSSCN-UHFFFAOYSA-N
XLogP2.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 2932478) is 3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1C2CCC(C2)C1C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is NBBSMNFWTJSSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3/c16-9-3-4-10(17)11(6-9)18-14(19)12-7-1-2-8(5-7)13(12)15(20)21/h3-4,6-8,12-13H,1-2,5H2,(H,18,19)(H,20,21).
What are the key properties of 3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 295.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 2932478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).