2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C13H14FNO4 — CID 54868318

IUPAC2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCOc1cc(F)ccc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C13H14FNO4/c1-2-19-11-5-7(14)3-4-10(11)15-12(16)8-6-9(8)13(17)18/h3-5,8-9H,2,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyXFRIEEXAUSEMQP-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.88
Rot. Bonds5

About 2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54868318) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54868318
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCOc1cc(F)ccc1NC(=O)C1CC1C(=O)O
InChIInChI=1S/C13H14FNO4/c1-2-19-11-5-7(14)3-4-10(11)15-12(16)8-6-9(8)13(17)18/h3-5,8-9H,2,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyXFRIEEXAUSEMQP-UHFFFAOYSA-N
XLogP1.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 54868318) is 2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is CCOc1cc(F)ccc1NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is XFRIEEXAUSEMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-2-19-11-5-7(14)3-4-10(11)15-12(16)8-6-9(8)13(17)18/h3-5,8-9H,2,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54868318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).