(2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide

C15H17F3N2O4 — CID 95174211

IUPAC(2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CCO1
InChIInChI=1S/C15H17F3N2O4/c16-15(17,18)24-11-4-1-10(2-5-11)3-6-13(21)20-7-8-23-12(9-20)14(19)22/h1-2,4-5,12H,3,6-9H2,(H2,19,22)/t12-/m1/s1
InChIKeyULSFIWLLPMBTGQ-GFCCVEGCSA-N
MW346.31 g/mol
LogP1.23
Rot. Bonds5

About (2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide

(2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide (PubChem CID 95174211) has the molecular formula C15H17F3N2O4 and a molecular weight of 346.31 g/mol. Its IUPAC name is (2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide
PubChem CID95174211
Molecular FormulaC15H17F3N2O4
Molecular Weight346.31 g/mol
Exact Mass346.11
IUPAC Name(2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CCO1
InChIInChI=1S/C15H17F3N2O4/c16-15(17,18)24-11-4-1-10(2-5-11)3-6-13(21)20-7-8-23-12(9-20)14(19)22/h1-2,4-5,12H,3,6-9H2,(H2,19,22)/t12-/m1/s1
InChIKeyULSFIWLLPMBTGQ-GFCCVEGCSA-N
XLogP1.23
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
1-(3-methylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119579614
1-(3-piperazin-1-ylpyrrolidin-1-yl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 120996743
1-[3-(1-aminoethyl)piperidin-1-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119595712
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one;dihydrochloride
CID 118599221
4-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxylic acid
CID 119251700
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 119647269
(2S)-4-[(3S)-4,4,4-trifluoro-3-phenylbutanoyl]morpholine-2-carboxamide
CID 95313146
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 120803909
methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate
CID 78927221
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
CID 155345859
(2S)-4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125120675

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide (CID 95174211) is (2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide is NC(=O)[C@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CCO1.
What is the InChIKey of (2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide?
The InChIKey is ULSFIWLLPMBTGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17F3N2O4/c16-15(17,18)24-11-4-1-10(2-5-11)3-6-13(21)20-7-8-23-12(9-20)14(19)22/h1-2,4-5,12H,3,6-9H2,(H2,19,22)/t12-/m1/s1.
What are the key properties of (2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide?
(2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-[4-(trifluoromethoxy)phenyl]propanoyl]morpholine-2-carboxamide is sourced from PubChem (CID 95174211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).