2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid

C15H18FNO4 — CID 119215386

IUPAC2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid
SMILESCc1cc(F)cc(C(=O)NC2(CC(=O)O)CCOCC2)c1
InChIInChI=1S/C15H18FNO4/c1-10-6-11(8-12(16)7-10)14(20)17-15(9-13(18)19)2-4-21-5-3-15/h6-8H,2-5,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyCCCXRMRAXNXIAW-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.89
Rot. Bonds4

About 2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid

2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid (PubChem CID 119215386) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid
PubChem CID119215386
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid
SMILESCc1cc(F)cc(C(=O)NC2(CC(=O)O)CCOCC2)c1
InChIInChI=1S/C15H18FNO4/c1-10-6-11(8-12(16)7-10)14(20)17-15(9-13(18)19)2-4-21-5-3-15/h6-8H,2-5,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyCCCXRMRAXNXIAW-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-methyl-5-nitrobenzoyl)amino]oxan-4-yl]acetic acid
CID 120686766
2-[4-[(2-hydroxy-3-methoxy-5-methylbenzoyl)amino]oxan-4-yl]acetic acid
CID 136552793
2-[4-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215542
2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 99578340
2-[4-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215417
2-[4-[(5-bromo-3-methylfuran-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214818
2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214844
2-[4-[(4-bromo-2,5-dimethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 120521397
2-[4-[(4-methylsulfonylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119214917
2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119214727
2-[4-[(3,5-difluorophenyl)sulfonylamino]oxan-4-yl]acetic acid
CID 166239334

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid (CID 119215386) is 2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid is Cc1cc(F)cc(C(=O)NC2(CC(=O)O)CCOCC2)c1.
What is the InChIKey of 2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid?
The InChIKey is CCCXRMRAXNXIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-10-6-11(8-12(16)7-10)14(20)17-15(9-13(18)19)2-4-21-5-3-15/h6-8H,2-5,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid?
2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-5-methylbenzoyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).