(5-fluoro-2-morpholin-4-ylphenyl)cyanamide

C11H12FN3O — CID 18952118

IUPAC(5-fluoro-2-morpholin-4-ylphenyl)cyanamide
SMILESN#CNc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C11H12FN3O/c12-9-1-2-11(10(7-9)14-8-13)15-3-5-16-6-4-15/h1-2,7,14H,3-6H2
InChIKeyDYMVJWOTOQCATD-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.56
Rot. Bonds2

About (5-fluoro-2-morpholin-4-ylphenyl)cyanamide

(5-fluoro-2-morpholin-4-ylphenyl)cyanamide (PubChem CID 18952118) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is (5-fluoro-2-morpholin-4-ylphenyl)cyanamide.

Molecular Properties

Compound Name(5-fluoro-2-morpholin-4-ylphenyl)cyanamide
PubChem CID18952118
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name(5-fluoro-2-morpholin-4-ylphenyl)cyanamide
SMILESN#CNc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C11H12FN3O/c12-9-1-2-11(10(7-9)14-8-13)15-3-5-16-6-4-15/h1-2,7,14H,3-6H2
InChIKeyDYMVJWOTOQCATD-UHFFFAOYSA-N
XLogP1.56
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-morpholin-4-ylphenyl)cyanamide?
The IUPAC name of (5-fluoro-2-morpholin-4-ylphenyl)cyanamide (CID 18952118) is (5-fluoro-2-morpholin-4-ylphenyl)cyanamide.
What is the SMILES notation for (5-fluoro-2-morpholin-4-ylphenyl)cyanamide?
The canonical SMILES for (5-fluoro-2-morpholin-4-ylphenyl)cyanamide is N#CNc1cc(F)ccc1N1CCOCC1.
What is the InChIKey of (5-fluoro-2-morpholin-4-ylphenyl)cyanamide?
The InChIKey is DYMVJWOTOQCATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c12-9-1-2-11(10(7-9)14-8-13)15-3-5-16-6-4-15/h1-2,7,14H,3-6H2.
What are the key properties of (5-fluoro-2-morpholin-4-ylphenyl)cyanamide?
(5-fluoro-2-morpholin-4-ylphenyl)cyanamide has a molecular weight of 221.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-morpholin-4-ylphenyl)cyanamide is sourced from PubChem (CID 18952118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).