[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid

C11H11FN2O4 — CID 91539862

IUPAC[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(N2CCOCC2=O)cc1F
InChIInChI=1S/C11H11FN2O4/c12-8-5-7(1-2-9(8)13-11(16)17)14-3-4-18-6-10(14)15/h1-2,5,13H,3-4,6H2,(H,16,17)
InChIKeyDNENTQJWGXSVKI-UHFFFAOYSA-N
MW254.22 g/mol
LogP1.28
Rot. Bonds2

About [2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid

[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid (PubChem CID 91539862) has the molecular formula C11H11FN2O4 and a molecular weight of 254.22 g/mol. Its IUPAC name is [2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid
PubChem CID91539862
Molecular FormulaC11H11FN2O4
Molecular Weight254.22 g/mol
Exact Mass254.07
IUPAC Name[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(N2CCOCC2=O)cc1F
InChIInChI=1S/C11H11FN2O4/c12-8-5-7(1-2-9(8)13-11(16)17)14-3-4-18-6-10(14)15/h1-2,5,13H,3-4,6H2,(H,16,17)
InChIKeyDNENTQJWGXSVKI-UHFFFAOYSA-N
XLogP1.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pyrazolidine-1,2-dicarboxamide
CID 11453998
1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 66881556
(2R)-2-(2,2-difluoroethylcarbamoylamino)-N'-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87868772
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11202026
(2S)-3-amino-2-[2,2-difluoroethyl(ethyl)amino]-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87868730
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 72812814
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11352019
[2-chloro-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
CID 174188050
5-chloro-N-[(2S)-2-(cyclopropylamino)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 91088097
2-fluoro-N-[4-(3-oxomorpholin-4-yl)phenyl]benzamide
CID 110363540
5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 59698858
[2-acetamido-5-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]-4-pyridinyl]carbamic acid
CID 174188070

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid?
The IUPAC name of [2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid (CID 91539862) is [2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid.
What is the SMILES notation for [2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid?
The canonical SMILES for [2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid is O=C(O)Nc1ccc(N2CCOCC2=O)cc1F.
What is the InChIKey of [2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid?
The InChIKey is DNENTQJWGXSVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4/c12-8-5-7(1-2-9(8)13-11(16)17)14-3-4-18-6-10(14)15/h1-2,5,13H,3-4,6H2,(H,16,17).
What are the key properties of [2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid?
[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid has a molecular weight of 254.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid is sourced from PubChem (CID 91539862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).