4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid

C18H16FNO4 — CID 119183981

IUPAC4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCOC(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C18H16FNO4/c19-15-3-1-2-14(10-15)16-11-20(8-9-24-16)17(21)12-4-6-13(7-5-12)18(22)23/h1-7,10,16H,8-9,11H2,(H,22,23)
InChIKeyWKXOZRWJWACSQW-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.74
Rot. Bonds3

About 4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid

4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid (PubChem CID 119183981) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
PubChem CID119183981
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCOC(c3cccc(F)c3)C2)cc1
InChIInChI=1S/C18H16FNO4/c19-15-3-1-2-14(10-15)16-11-20(8-9-24-16)17(21)12-4-6-13(7-5-12)18(22)23/h1-7,10,16H,8-9,11H2,(H,22,23)
InChIKeyWKXOZRWJWACSQW-UHFFFAOYSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
CID 136526058
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 111432690
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
CID 110364434
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 110629876
5-[(2R)-2-(3-fluorophenyl)morpholine-4-carbonyl]-2-methyl-1H-pyridin-4-one
CID 97067462
5-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-methyl-1H-pyridin-4-one
CID 71926655
1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate
CID 174559637
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
(6-fluoro-3-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 63979909
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid?
The IUPAC name of 4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid (CID 119183981) is 4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid.
What is the SMILES notation for 4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid?
The canonical SMILES for 4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid is O=C(O)c1ccc(C(=O)N2CCOC(c3cccc(F)c3)C2)cc1.
What is the InChIKey of 4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid?
The InChIKey is WKXOZRWJWACSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c19-15-3-1-2-14(10-15)16-11-20(8-9-24-16)17(21)12-4-6-13(7-5-12)18(22)23/h1-7,10,16H,8-9,11H2,(H,22,23).
What are the key properties of 4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid?
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid has a molecular weight of 329.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid is sourced from PubChem (CID 119183981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).