4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid

C14H16FNO5 — CID 115291543

IUPAC4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)CCOCC2)cc1F
InChIInChI=1S/C14H16FNO5/c1-20-11-3-2-9(8-10(11)15)12(17)16-14(13(18)19)4-6-21-7-5-14/h2-3,8H,4-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyIWYHTKYAAJCCFJ-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.20
Rot. Bonds4

About 4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid

4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid (PubChem CID 115291543) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
PubChem CID115291543
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)CCOCC2)cc1F
InChIInChI=1S/C14H16FNO5/c1-20-11-3-2-9(8-10(11)15)12(17)16-14(13(18)19)4-6-21-7-5-14/h2-3,8H,4-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyIWYHTKYAAJCCFJ-UHFFFAOYSA-N
XLogP1.20
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
3-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]oxolane-3-carboxylic acid
CID 120688787
3-[(3-methoxy-4-methylbenzoyl)amino]oxolane-3-carboxylic acid
CID 64889609
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276396
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
4-[(4-hydroxy-3-methylbenzoyl)amino]oxane-4-carboxylic acid
CID 107675089
3-[(4-bromo-3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 64889400
3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 71806743
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188
4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291748
4-[(5-chloro-2-fluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291662

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid (CID 115291543) is 4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid is COc1ccc(C(=O)NC2(C(=O)O)CCOCC2)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid?
The InChIKey is IWYHTKYAAJCCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO5/c1-20-11-3-2-9(8-10(11)15)12(17)16-14(13(18)19)4-6-21-7-5-14/h2-3,8H,4-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid?
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid has a molecular weight of 297.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115291543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).