N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide

C11H14FN3O2 — CID 79156204

IUPACN-(5-amino-2-fluorophenyl)morpholine-4-carboxamide
SMILESNc1ccc(F)c(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C11H14FN3O2/c12-9-2-1-8(13)7-10(9)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6,13H2,(H,14,16)
InChIKeyKNDOTFAVZCOCSD-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.27
Rot. Bonds1

About N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide

N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide (PubChem CID 79156204) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)morpholine-4-carboxamide
PubChem CID79156204
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC NameN-(5-amino-2-fluorophenyl)morpholine-4-carboxamide
SMILESNc1ccc(F)c(NC(=O)N2CCOCC2)c1
InChIInChI=1S/C11H14FN3O2/c12-9-2-1-8(13)7-10(9)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6,13H2,(H,14,16)
InChIKeyKNDOTFAVZCOCSD-UHFFFAOYSA-N
XLogP1.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-5-methoxyphenyl)morpholine-4-carboxamide
CID 115687771
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
N-(4-fluoro-2-iodophenyl)morpholine-4-carboxamide
CID 79766971
N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide
CID 103755867
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
CID 115646656
N-(2-fluoro-3-methylphenyl)morpholine-4-carboxamide
CID 166178432
N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
CID 47032428
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
N-(4-amino-2-hydroxyphenyl)pyrrolidine-1-carboxamide
CID 91075278
N-(3-acetamido-4-fluorophenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55698487
5-fluoro-2-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 62967632

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide (CID 79156204) is N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide is Nc1ccc(F)c(NC(=O)N2CCOCC2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide?
The InChIKey is KNDOTFAVZCOCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-9-2-1-8(13)7-10(9)14-11(16)15-3-5-17-6-4-15/h1-2,7H,3-6,13H2,(H,14,16).
What are the key properties of N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide?
N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide has a molecular weight of 239.25 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 79156204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).