N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide

C11H11F3N2O2 — CID 115646656

IUPACN-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)N1CCOCC1
InChIInChI=1S/C11H11F3N2O2/c12-8-5-7(6-9(13)10(8)14)15-11(17)16-1-3-18-4-2-16/h5-6H,1-4H2,(H,15,17)
InChIKeyYSTZRKKIKOSEDU-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.97
Rot. Bonds1

About N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide

N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide (PubChem CID 115646656) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
PubChem CID115646656
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC NameN-(3,4,5-trifluorophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)N1CCOCC1
InChIInChI=1S/C11H11F3N2O2/c12-8-5-7(6-9(13)10(8)14)15-11(17)16-1-3-18-4-2-16/h5-6H,1-4H2,(H,15,17)
InChIKeyYSTZRKKIKOSEDU-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
N-(3,5-dihydroxyphenyl)morpholine-4-carboxamide
CID 108895379
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(5-fluoro-3-pyridinyl)morpholine-4-carboxamide
CID 110872339
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]morpholine-4-carboxamide
CID 79153035
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide
CID 94189690
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-(5-amino-2-fluorophenyl)morpholine-4-carboxamide
CID 79156204
N-[4-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 47033018
N-(3,5-difluorophenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122335147
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
N-(2-fluoro-3-methylphenyl)morpholine-4-carboxamide
CID 166178432

Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide?
The IUPAC name of N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide (CID 115646656) is N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide is O=C(Nc1cc(F)c(F)c(F)c1)N1CCOCC1.
What is the InChIKey of N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide?
The InChIKey is YSTZRKKIKOSEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-8-5-7(6-9(13)10(8)14)15-11(17)16-1-3-18-4-2-16/h5-6H,1-4H2,(H,15,17).
What are the key properties of N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide?
N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide has a molecular weight of 260.21 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trifluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 115646656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).