2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid

C15H18FNO4 — CID 119187038

IUPAC2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(CNC(=O)C1CC1C(=O)O)Oc1ccccc1F
InChIInChI=1S/C15H18FNO4/c1-2-9(21-13-6-4-3-5-12(13)16)8-17-14(18)10-7-11(10)15(19)20/h3-6,9-11H,2,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyWRQBSJMGEUBYIL-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.82
Rot. Bonds7

About 2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid

2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 119187038) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID119187038
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(CNC(=O)C1CC1C(=O)O)Oc1ccccc1F
InChIInChI=1S/C15H18FNO4/c1-2-9(21-13-6-4-3-5-12(13)16)8-17-14(18)10-7-11(10)15(19)20/h3-6,9-11H,2,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyWRQBSJMGEUBYIL-UHFFFAOYSA-N
XLogP1.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenoxy)butyl]oxolane-2-carboxamide
CID 71863283
(3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide
CID 95972631
3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride
CID 119813328
3-amino-N-[2-(2-fluorophenoxy)butyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119813326
(3S)-N-[(2R)-2-(2-fluorophenoxy)butyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972675
2-amino-N-[2-(2-fluorophenoxy)butyl]acetamide;hydrochloride
CID 119340592
N-[2-(2-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119813317
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide
CID 119340597
N-[2-(2-fluorophenoxy)butyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119813356
trans-(1R,2R)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131962
trans-(1S,2S)-2-[[(2R)-2-phenoxypropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131961

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid (CID 119187038) is 2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid is CCC(CNC(=O)C1CC1C(=O)O)Oc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is WRQBSJMGEUBYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-2-9(21-13-6-4-3-5-12(13)16)8-17-14(18)10-7-11(10)15(19)20/h3-6,9-11H,2,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 119187038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).