4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide

C11H14FN3O2 — CID 83102105

IUPAC4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1cc(N)cc(F)c1
InChIInChI=1S/C11H14FN3O2/c12-7-3-8(13)5-9(4-7)15-1-2-17-6-10(15)11(14)16/h3-5,10H,1-2,6,13H2,(H2,14,16)
InChIKeyTXRBCPJEPOGNRR-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.10
Rot. Bonds2

About 4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide

4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide (PubChem CID 83102105) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide
PubChem CID83102105
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1cc(N)cc(F)c1
InChIInChI=1S/C11H14FN3O2/c12-7-3-8(13)5-9(4-7)15-1-2-17-6-10(15)11(14)16/h3-5,10H,1-2,6,13H2,(H2,14,16)
InChIKeyTXRBCPJEPOGNRR-UHFFFAOYSA-N
XLogP0.10
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.10
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)morpholine-3-carboxamide
CID 112648201
4-(3-amino-5-fluorophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106635
4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
CID 83101423
4-(3-bromophenyl)morpholine-3-carboxamide
CID 130363342
4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide
CID 83101424
4-(3-carbamoylmorpholin-4-yl)-2-methylbenzoic acid
CID 83096397
4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817135
4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
CID 83096488
4-[3-(aminomethyl)-5-fluorophenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 102814248
4-(3-amino-5-methylphenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 115980875
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide
CID 83094213

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide (CID 83102105) is 4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide is NC(=O)C1COCCN1c1cc(N)cc(F)c1.
What is the InChIKey of 4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide?
The InChIKey is TXRBCPJEPOGNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-7-3-8(13)5-9(4-7)15-1-2-17-6-10(15)11(14)16/h3-5,10H,1-2,6,13H2,(H2,14,16).
What are the key properties of 4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide?
4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide has a molecular weight of 239.25 g/mol, XLogP of 0.10, 2 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)morpholine-3-carboxamide is sourced from PubChem (CID 83102105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).