N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide

C15H17FN2O3 — CID 106529367

IUPACN-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide
SMILESO=Cc1cc(F)cc(N2CCOCC2C(=O)NC2CC2)c1
InChIInChI=1S/C15H17FN2O3/c16-11-5-10(8-19)6-13(7-11)18-3-4-21-9-14(18)15(20)17-12-1-2-12/h5-8,12,14H,1-4,9H2,(H,17,20)
InChIKeyZIBXEQWQHZXEEP-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.12
Rot. Bonds4

About N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide

N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide (PubChem CID 106529367) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide
PubChem CID106529367
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC NameN-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide
SMILESO=Cc1cc(F)cc(N2CCOCC2C(=O)NC2CC2)c1
InChIInChI=1S/C15H17FN2O3/c16-11-5-10(8-19)6-13(7-11)18-3-4-21-9-14(18)15(20)17-12-1-2-12/h5-8,12,14H,1-4,9H2,(H,17,20)
InChIKeyZIBXEQWQHZXEEP-UHFFFAOYSA-N
XLogP1.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 102814248
N-cyclopropyl-4-[4-(1-hydroxyethyl)phenyl]morpholine-3-carboxamide
CID 83101406
N-cyclopropyl-4-[4-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83104122
N-cyclopropyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102210
4-(4-amino-2,6-dichlorophenyl)-N-cyclopropylmorpholine-3-carboxamide
CID 106890693
4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106635
4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide
CID 83101244
4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817135
4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide
CID 83102105
4-(3-amino-5-bromo-4-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 103518401
4-(3-amino-5-bromo-2-pyridinyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83107189
4-(4-cyano-6-methylpyrimidin-2-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 107545054

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide (CID 106529367) is N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide is O=Cc1cc(F)cc(N2CCOCC2C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide?
The InChIKey is ZIBXEQWQHZXEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-11-5-10(8-19)6-13(7-11)18-3-4-21-9-14(18)15(20)17-12-1-2-12/h5-8,12,14H,1-4,9H2,(H,17,20).
What are the key properties of N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide?
N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-fluoro-5-formylphenyl)morpholine-3-carboxamide is sourced from PubChem (CID 106529367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).