N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide

C15H19FN2O3 — CID 83102210

IUPACN-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1c1ccc(CO)cc1F
InChIInChI=1S/C15H19FN2O3/c16-12-7-10(8-19)1-4-13(12)18-5-6-21-9-14(18)15(20)17-11-2-3-11/h1,4,7,11,14,19H,2-3,5-6,8-9H2,(H,17,20)
InChIKeyDSBDBGGHOIGEIN-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.80
Rot. Bonds4

About N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide

N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide (PubChem CID 83102210) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
PubChem CID83102210
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1c1ccc(CO)cc1F
InChIInChI=1S/C15H19FN2O3/c16-12-7-10(8-19)1-4-13(12)18-5-6-21-9-14(18)15(20)17-11-2-3-11/h1,4,7,11,14,19H,2-3,5-6,8-9H2,(H,17,20)
InChIKeyDSBDBGGHOIGEIN-UHFFFAOYSA-N
XLogP0.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102955
N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83104122
4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83106502
4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 102814248
4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098530
N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide
CID 106529367
4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098577
4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide
CID 106890693
N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
CID 83101406
4-(6-chloropyridazin-3-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102986
4-(2-aminopyrimidin-4-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83105794
N-cyclopropyl-4-[4-(1-hydroxyethyl)-2-pyridinyl]morpholine-3-carboxamide
CID 83102212

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide (CID 83102210) is N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide is O=C(NC1CC1)C1COCCN1c1ccc(CO)cc1F.
What is the InChIKey of N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is DSBDBGGHOIGEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-7-10(8-19)1-4-13(12)18-5-6-21-9-14(18)15(20)17-11-2-3-11/h1,4,7,11,14,19H,2-3,5-6,8-9H2,(H,17,20).
What are the key properties of N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide?
N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83102210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).