4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide

C11H13F2N3O2 — CID 83101424

IUPAC4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1c(N)ccc(F)c1F
InChIInChI=1S/C11H13F2N3O2/c12-6-1-2-7(14)10(9(6)13)16-3-4-18-5-8(16)11(15)17/h1-2,8H,3-5,14H2,(H2,15,17)
InChIKeyVRIWRPFZLGINMU-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.24
Rot. Bonds2

About 4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide

4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide (PubChem CID 83101424) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide
PubChem CID83101424
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1c(N)ccc(F)c1F
InChIInChI=1S/C11H13F2N3O2/c12-6-1-2-7(14)10(9(6)13)16-3-4-18-5-8(16)11(15)17/h1-2,8H,3-5,14H2,(H2,15,17)
InChIKeyVRIWRPFZLGINMU-UHFFFAOYSA-N
XLogP0.24
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.24
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

2-(3-carbamoylmorpholin-4-yl)-3-fluorobenzoic acid
CID 83095800
4-(3-amino-5-fluorophenyl)morpholine-3-carboxamide
CID 83102105
4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
CID 83101423
4-(2-amino-4-bromophenyl)morpholine-3-carboxamide
CID 83094303
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide
CID 83095812
4-(3-amino-5-methylphenyl)morpholine-3-carboxamide
CID 112648201
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
4-(4-amino-2-sulfamoylphenyl)morpholine-3-carboxamide
CID 83094213
4-(4-amino-1-methylpyrazol-3-yl)morpholine-3-carboxamide
CID 103078791
5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid
CID 83095887
4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098530
4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)morpholine-3-carboxamide
CID 83095941

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide?
The IUPAC name of 4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide (CID 83101424) is 4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide is NC(=O)C1COCCN1c1c(N)ccc(F)c1F.
What is the InChIKey of 4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide?
The InChIKey is VRIWRPFZLGINMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c12-6-1-2-7(14)10(9(6)13)16-3-4-18-5-8(16)11(15)17/h1-2,8H,3-5,14H2,(H2,15,17).
What are the key properties of 4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide?
4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide has a molecular weight of 257.24 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide is sourced from PubChem (CID 83101424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).