2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid

C14H16FNO4 — CID 66421551

IUPAC2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCOC(CC(=O)O)C2)cc1F
InChIInChI=1S/C14H16FNO4/c1-9-2-3-10(6-12(9)15)14(19)16-4-5-20-11(8-16)7-13(17)18/h2-3,6,11H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyXYVWVOXYRLKMLR-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.45
Rot. Bonds3

About 2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid

2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid (PubChem CID 66421551) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
PubChem CID66421551
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCOC(CC(=O)O)C2)cc1F
InChIInChI=1S/C14H16FNO4/c1-9-2-3-10(6-12(9)15)14(19)16-4-5-20-11(8-16)7-13(17)18/h2-3,6,11H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyXYVWVOXYRLKMLR-UHFFFAOYSA-N
XLogP1.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124695396
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid
CID 119247842
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 167893929
2-[(2S)-4-[4-(3,4,5-trifluorophenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702697
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
4-(3-fluoro-4-methylbenzoyl)morpholine-2-carbothioamide
CID 79675097
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 81210108

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid (CID 66421551) is 2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid is Cc1ccc(C(=O)N2CCOC(CC(=O)O)C2)cc1F.
What is the InChIKey of 2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is XYVWVOXYRLKMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-9-2-3-10(6-12(9)15)14(19)16-4-5-20-11(8-16)7-13(17)18/h2-3,6,11H,4-5,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid?
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 281.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66421551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).