4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid

C18H15F2NO5 — CID 119215971

IUPAC4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H15F2NO5/c19-14-6-5-13(9-15(14)20)26-12-3-1-11(2-4-12)17(22)21-7-8-25-10-16(21)18(23)24/h1-6,9,16H,7-8,10H2,(H,23,24)
InChIKeyDDWJTYIOFWIFJL-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.68
Rot. Bonds4

About 4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid

4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid (PubChem CID 119215971) has the molecular formula C18H15F2NO5 and a molecular weight of 363.32 g/mol. Its IUPAC name is 4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid
PubChem CID119215971
Molecular FormulaC18H15F2NO5
Molecular Weight363.32 g/mol
Exact Mass363.09
IUPAC Name4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H15F2NO5/c19-14-6-5-13(9-15(14)20)26-12-3-1-11(2-4-12)17(22)21-7-8-25-10-16(21)18(23)24/h1-6,9,16H,7-8,10H2,(H,23,24)
InChIKeyDDWJTYIOFWIFJL-UHFFFAOYSA-N
XLogP2.68
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid
CID 119215842
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 119216307
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870
(3R)-4-(3-bromo-5-fluorobenzoyl)morpholine-3-carboxylic acid
CID 124513317
4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
CID 119216482
(3R)-4-[3-fluoro-4-(1,2,4-triazol-1-yl)benzoyl]morpholine-3-carboxylic acid
CID 125153726
4-[3,5-bis(trifluoromethyl)benzoyl]morpholine-3-carboxylic acid
CID 119216480

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid (CID 119215971) is 4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid?
The InChIKey is DDWJTYIOFWIFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO5/c19-14-6-5-13(9-15(14)20)26-12-3-1-11(2-4-12)17(22)21-7-8-25-10-16(21)18(23)24/h1-6,9,16H,7-8,10H2,(H,23,24).
What are the key properties of 4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid?
4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid has a molecular weight of 363.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119215971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).