2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid

C18H17F3N2O5 — CID 120529047

IUPAC2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)c2ccnc(OCC(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3N2O5/c19-18(20,21)11-28-15-9-13(6-8-22-15)17(26)23-7-5-12-1-3-14(4-2-12)27-10-16(24)25/h1-4,6,8-9H,5,7,10-11H2,(H,23,26)(H,24,25)
InChIKeyUNVQBYHGLSZYSQ-UHFFFAOYSA-N
MW398.34 g/mol
LogP2.46
Rot. Bonds9

About 2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid

2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid (PubChem CID 120529047) has the molecular formula C18H17F3N2O5 and a molecular weight of 398.34 g/mol. Its IUPAC name is 2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
PubChem CID120529047
Molecular FormulaC18H17F3N2O5
Molecular Weight398.34 g/mol
Exact Mass398.11
IUPAC Name2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(CCNC(=O)c2ccnc(OCC(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3N2O5/c19-18(20,21)11-28-15-9-13(6-8-22-15)17(26)23-7-5-12-1-3-14(4-2-12)27-10-16(24)25/h1-4,6,8-9H,5,7,10-11H2,(H,23,26)(H,24,25)
InChIKeyUNVQBYHGLSZYSQ-UHFFFAOYSA-N
XLogP2.46
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120528988
4-[4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]phenoxy]butanoic acid
CID 120530778
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463
2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255550
4-[2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]ethyl]benzoic acid
CID 120512957
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid
CID 120519827
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120531851
4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120532346
2-[4-[2-[[2-(trifluoromethylsulfanyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255439
2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120529046
5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid
CID 120547139

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid (CID 120529047) is 2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid is O=C(O)COc1ccc(CCNC(=O)c2ccnc(OCC(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid?
The InChIKey is UNVQBYHGLSZYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O5/c19-18(20,21)11-28-15-9-13(6-8-22-15)17(26)23-7-5-12-1-3-14(4-2-12)27-10-16(24)25/h1-4,6,8-9H,5,7,10-11H2,(H,23,26)(H,24,25).
What are the key properties of 2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid has a molecular weight of 398.34 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 120529047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).