2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid

C19H20FNO5 — CID 119187039

IUPAC2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid
SMILESCCC(CNC(=O)c1cccc(OCC(=O)O)c1)Oc1ccccc1F
InChIInChI=1S/C19H20FNO5/c1-2-14(26-17-9-4-3-8-16(17)20)11-21-19(24)13-6-5-7-15(10-13)25-12-18(22)23/h3-10,14H,2,11-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyDTIWVGXKGZDGPA-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.88
Rot. Bonds9

About 2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid

2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid (PubChem CID 119187039) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid
PubChem CID119187039
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid
SMILESCCC(CNC(=O)c1cccc(OCC(=O)O)c1)Oc1ccccc1F
InChIInChI=1S/C19H20FNO5/c1-2-14(26-17-9-4-3-8-16(17)20)11-21-19(24)13-6-5-7-15(10-13)25-12-18(22)23/h3-10,14H,2,11-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyDTIWVGXKGZDGPA-UHFFFAOYSA-N
XLogP2.88
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenoxy)butyl]furan-3-carboxamide
CID 71979262
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
2-amino-N-[2-(2-fluorophenoxy)butyl]acetamide;hydrochloride
CID 119340592
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide
CID 119340597
2-[2-(2-fluorophenoxy)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187038
2-[4-[2-[2-(2-fluorophenoxy)butanoylamino]ethyl]phenoxy]acetic acid
CID 119255707
N-[2-(2-fluorophenoxy)butyl]oxolane-2-carboxamide
CID 71863283
N-butyl-4-fluoro-3-phenoxybenzamide
CID 134100866
2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182902
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid (CID 119187039) is 2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid is CCC(CNC(=O)c1cccc(OCC(=O)O)c1)Oc1ccccc1F.
What is the InChIKey of 2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid?
The InChIKey is DTIWVGXKGZDGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-2-14(26-17-9-4-3-8-16(17)20)11-21-19(24)13-6-5-7-15(10-13)25-12-18(22)23/h3-10,14H,2,11-12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid?
2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid has a molecular weight of 361.37 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-fluorophenoxy)butylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119187039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).