N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide

C17H15F4N3O3 — CID 119887677

IUPACN-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C1COCCN1
InChIInChI=1S/C17H15F4N3O3/c18-12-7-11(24-16(25)13-9-26-6-5-22-13)2-3-14(12)27-15-4-1-10(8-23-15)17(19,20)21/h1-4,7-8,13,22H,5-6,9H2,(H,24,25)
InChIKeyQCJUSDFKBXQJGJ-UHFFFAOYSA-N
MW385.32 g/mol
LogP2.96
Rot. Bonds4

About N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide

N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide (PubChem CID 119887677) has the molecular formula C17H15F4N3O3 and a molecular weight of 385.32 g/mol. Its IUPAC name is N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide
PubChem CID119887677
Molecular FormulaC17H15F4N3O3
Molecular Weight385.32 g/mol
Exact Mass385.10
IUPAC NameN-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C1COCCN1
InChIInChI=1S/C17H15F4N3O3/c18-12-7-11(24-16(25)13-9-26-6-5-22-13)2-3-14(12)27-15-4-1-10(8-23-15)17(19,20)21/h1-4,7-8,13,22H,5-6,9H2,(H,24,25)
InChIKeyQCJUSDFKBXQJGJ-UHFFFAOYSA-N
XLogP2.96
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119888475
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-3-carboxamide
CID 82817726
N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119794822
(2S)-2-amino-N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylpentanamide
CID 119887717
N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-(methylamino)butanamide
CID 119887683
N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119773679
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119891518
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide
CID 119764590
N-(3,5-difluoro-4-iodophenyl)morpholine-3-carboxamide;hydrochloride
CID 119764589

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide (CID 119887677) is N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide is O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)C1COCCN1.
What is the InChIKey of N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide?
The InChIKey is QCJUSDFKBXQJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O3/c18-12-7-11(24-16(25)13-9-26-6-5-22-13)2-3-14(12)27-15-4-1-10(8-23-15)17(19,20)21/h1-4,7-8,13,22H,5-6,9H2,(H,24,25).
What are the key properties of N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide?
N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide has a molecular weight of 385.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 119887677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).