2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid

C15H17ClFNO5 — CID 119211275

IUPAC2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)COc1ccc(F)c(Cl)c1)C1CCOCC1
InChIInChI=1S/C15H17ClFNO5/c16-12-7-11(1-2-13(12)17)23-9-14(19)18(8-15(20)21)10-3-5-22-6-4-10/h1-2,7,10H,3-6,8-9H2,(H,20,21)
InChIKeyKWWOBDWJUKBBBI-UHFFFAOYSA-N
MW345.75 g/mol
LogP1.95
Rot. Bonds6

About 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid

2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid (PubChem CID 119211275) has the molecular formula C15H17ClFNO5 and a molecular weight of 345.75 g/mol. Its IUPAC name is 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
PubChem CID119211275
Molecular FormulaC15H17ClFNO5
Molecular Weight345.75 g/mol
Exact Mass345.08
IUPAC Name2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)COc1ccc(F)c(Cl)c1)C1CCOCC1
InChIInChI=1S/C15H17ClFNO5/c16-12-7-11(1-2-13(12)17)23-9-14(19)18(8-15(20)21)10-3-5-22-6-4-10/h1-2,7,10H,3-6,8-9H2,(H,20,21)
InChIKeyKWWOBDWJUKBBBI-UHFFFAOYSA-N
XLogP1.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid with MolForge

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 55555870
2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921
2-[(4-chloro-2-fluorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 119211140
2-[(2,5-dichlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 119211299
2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119824506
2-[[2-(2,5-difluorophenyl)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211258
2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid
CID 119194754
2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404
3-[[2-(3,4-dimethylphenoxy)acetyl]-(oxan-4-yl)amino]propanoic acid
CID 119212286
2-[(4-chlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 154742650
2-(4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
CID 71801512
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211212

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid (CID 119211275) is 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid is O=C(O)CN(C(=O)COc1ccc(F)c(Cl)c1)C1CCOCC1.
What is the InChIKey of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid?
The InChIKey is KWWOBDWJUKBBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO5/c16-12-7-11(1-2-13(12)17)23-9-14(19)18(8-15(20)21)10-3-5-22-6-4-10/h1-2,7,10H,3-6,8-9H2,(H,20,21).
What are the key properties of 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid?
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid has a molecular weight of 345.75 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 119211275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).