2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid

C15H18FNO4 — CID 122109696

IUPAC2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid
SMILESCC1CC(C(=O)Nc2ccc(CC(=O)O)c(F)c2)CCO1
InChIInChI=1S/C15H18FNO4/c1-9-6-11(4-5-21-9)15(20)17-12-3-2-10(7-14(18)19)13(16)8-12/h2-3,8-9,11H,4-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyGBOYETYKKPSLSQ-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.21
Rot. Bonds4

About 2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid

2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid (PubChem CID 122109696) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid
PubChem CID122109696
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid
SMILESCC1CC(C(=O)Nc2ccc(CC(=O)O)c(F)c2)CCO1
InChIInChI=1S/C15H18FNO4/c1-9-6-11(4-5-21-9)15(20)17-12-3-2-10(7-14(18)19)13(16)8-12/h2-3,8-9,11H,4-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyGBOYETYKKPSLSQ-UHFFFAOYSA-N
XLogP2.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[4-[(2-methyloxane-4-carbonyl)amino]phenyl]propanoic acid
CID 120541174
2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid
CID 122110170
2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 122110171
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
(E)-3-[2-fluoro-5-[(5-methyloxolane-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 114827205
2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109613
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
CID 122110137
N-[4-[[(2R,4R)-2-methyloxan-4-yl]carbamoylamino]phenyl]cyclopropanecarboxamide
CID 97254109
2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824292
2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid
CID 122109861

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid (CID 122109696) is 2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid is CC1CC(C(=O)Nc2ccc(CC(=O)O)c(F)c2)CCO1.
What is the InChIKey of 2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid?
The InChIKey is GBOYETYKKPSLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-9-6-11(4-5-21-9)15(20)17-12-3-2-10(7-14(18)19)13(16)8-12/h2-3,8-9,11H,4-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid?
2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 122109696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).