3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C15H18FNO4 — CID 64835214

IUPAC3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCOc1cc(F)ccc1NC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C15H18FNO4/c1-4-21-10-7-8(16)5-6-9(10)17-13(18)11-12(14(19)20)15(11,2)3/h5-7,11-12H,4H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyBVRMVRWSLLMNMI-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.52
Rot. Bonds5

About 3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64835214) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64835214
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCOc1cc(F)ccc1NC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C15H18FNO4/c1-4-21-10-7-8(16)5-6-9(10)17-13(18)11-12(14(19)20)15(11,2)3/h5-7,11-12H,4H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyBVRMVRWSLLMNMI-UHFFFAOYSA-N
XLogP2.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64835214) is 3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CCOc1cc(F)ccc1NC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is BVRMVRWSLLMNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-4-21-10-7-8(16)5-6-9(10)17-13(18)11-12(14(19)20)15(11,2)3/h5-7,11-12H,4H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).