4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide

C15H22FN3O2 — CID 107347522

IUPAC4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1Cc1cccc(N)c1F
InChIInChI=1S/C15H22FN3O2/c1-10(2)18-15(20)13-9-21-7-6-19(13)8-11-4-3-5-12(17)14(11)16/h3-5,10,13H,6-9,17H2,1-2H3,(H,18,20)
InChIKeyPASOSWIDMJDZKB-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.13
Rot. Bonds4

About 4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide

4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 107347522) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID107347522
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1Cc1cccc(N)c1F
InChIInChI=1S/C15H22FN3O2/c1-10(2)18-15(20)13-9-21-7-6-19(13)8-11-4-3-5-12(17)14(11)16/h3-5,10,13H,6-9,17H2,1-2H3,(H,18,20)
InChIKeyPASOSWIDMJDZKB-UHFFFAOYSA-N
XLogP1.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide (CID 107347522) is 4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1Cc1cccc(N)c1F.
What is the InChIKey of 4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is PASOSWIDMJDZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10(2)18-15(20)13-9-21-7-6-19(13)8-11-4-3-5-12(17)14(11)16/h3-5,10,13H,6-9,17H2,1-2H3,(H,18,20).
What are the key properties of 4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide?
4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-fluorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 107347522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).