2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid

C14H16FNO4 — CID 107792703

IUPAC2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid
SMILESO=C(CC1CCCCO1)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C14H16FNO4/c15-12-7-9(4-5-11(12)14(18)19)16-13(17)8-10-3-1-2-6-20-10/h4-5,7,10H,1-3,6,8H2,(H,16,17)(H,18,19)
InChIKeyBAHFBEYMUWZRLI-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.42
Rot. Bonds4

About 2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid

2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid (PubChem CID 107792703) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid
PubChem CID107792703
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid
SMILESO=C(CC1CCCCO1)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C14H16FNO4/c15-12-7-9(4-5-11(12)14(18)19)16-13(17)8-10-3-1-2-6-20-10/h4-5,7,10H,1-3,6,8H2,(H,16,17)(H,18,19)
InChIKeyBAHFBEYMUWZRLI-UHFFFAOYSA-N
XLogP2.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]benzoic acid
CID 129372952
2-fluoro-4-[2-(oxolan-2-yl)ethylamino]benzoic acid
CID 113319760
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94094576
N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide
CID 106910580
2-fluoro-4-[[2-(thian-4-yl)acetyl]amino]benzoic acid
CID 103925741
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
2-methyl-2-[4-[[2-(oxan-2-yl)acetyl]amino]phenyl]propanoic acid
CID 120688056
2-bromo-5-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 115295879
N-(4-hydroxy-3-nitrophenyl)-2-[(2R)-oxan-2-yl]acetamide
CID 99718437
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid (CID 107792703) is 2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid is O=C(CC1CCCCO1)Nc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid?
The InChIKey is BAHFBEYMUWZRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-12-7-9(4-5-11(12)14(18)19)16-13(17)8-10-3-1-2-6-20-10/h4-5,7,10H,1-3,6,8H2,(H,16,17)(H,18,19).
What are the key properties of 2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid?
2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid has a molecular weight of 281.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 107792703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).