4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide

C14H20FN3O2 — CID 83106635

IUPAC4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1c1cc(N)cc(F)c1
InChIInChI=1S/C14H20FN3O2/c1-9(2)17-14(19)13-8-20-4-3-18(13)12-6-10(15)5-11(16)7-12/h5-7,9,13H,3-4,8,16H2,1-2H3,(H,17,19)
InChIKeyJEYMPIXDOZWRRN-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.14
Rot. Bonds3

About 4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide

4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83106635) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83106635
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1c1cc(N)cc(F)c1
InChIInChI=1S/C14H20FN3O2/c1-9(2)17-14(19)13-8-20-4-3-18(13)12-6-10(15)5-11(16)7-12/h5-7,9,13H,3-4,8,16H2,1-2H3,(H,17,19)
InChIKeyJEYMPIXDOZWRRN-UHFFFAOYSA-N
XLogP1.14
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 115980875
4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide
CID 83102105
4-(5-aminopyrimidin-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106634
4-(2-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83107053
5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 104638974
4-(3-amino-5-bromo-4-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 103518402
4-(6-chloro-2-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103410
4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817135
4-(2-amino-5-methylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105110
4-(3-amino-6-methyl-2-pyridinyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106140
4-(3-amino-5-methylphenyl)morpholine-3-carboxamide
CID 112648201
4-(6-amino-2,5-dimethylpyrimidin-4-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105267

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83106635) is 4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1c1cc(N)cc(F)c1.
What is the InChIKey of 4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is JEYMPIXDOZWRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-9(2)17-14(19)13-8-20-4-3-18(13)12-6-10(15)5-11(16)7-12/h5-7,9,13H,3-4,8,16H2,1-2H3,(H,17,19).
What are the key properties of 4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83106635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).