2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid

C20H20FNO5 — CID 119187111

IUPAC2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)c1
InChIInChI=1S/C20H20FNO5/c21-16-5-2-4-15(12-16)20(7-9-26-10-8-20)22-19(25)14-3-1-6-17(11-14)27-13-18(23)24/h1-6,11-12H,7-10,13H2,(H,22,25)(H,23,24)
InChIKeyJITWBSTZSXMBLB-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.72
Rot. Bonds6

About 2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid

2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid (PubChem CID 119187111) has the molecular formula C20H20FNO5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid
PubChem CID119187111
Molecular FormulaC20H20FNO5
Molecular Weight373.38 g/mol
Exact Mass373.13
IUPAC Name2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)c1
InChIInChI=1S/C20H20FNO5/c21-16-5-2-4-15(12-16)20(7-9-26-10-8-20)22-19(25)14-3-1-6-17(11-14)27-13-18(23)24/h1-6,11-12H,7-10,13H2,(H,22,25)(H,23,24)
InChIKeyJITWBSTZSXMBLB-UHFFFAOYSA-N
XLogP2.72
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide
CID 119342225
2-[3-[(4-methylsulfanyloxan-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 119186761
N-[4-(3-fluorophenyl)oxan-4-yl]furan-3-carboxamide
CID 71993760
2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976524
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 99819235
3-[[4-(3-cyanophenyl)oxan-4-yl]carbamoyl]benzoic acid
CID 154788901
N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993748
3-[[2-(3-fluorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889222
2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid
CID 119224839
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
N-[4-(chloromethyl)oxan-4-yl]-3-fluorobenzamide
CID 106300657

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid (CID 119187111) is 2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)NC2(c3cccc(F)c3)CCOCC2)c1.
What is the InChIKey of 2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid?
The InChIKey is JITWBSTZSXMBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO5/c21-16-5-2-4-15(12-16)20(7-9-26-10-8-20)22-19(25)14-3-1-6-17(11-14)27-13-18(23)24/h1-6,11-12H,7-10,13H2,(H,22,25)(H,23,24).
What are the key properties of 2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid?
2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid has a molecular weight of 373.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119187111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).