(2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide

C14H16F3N3O3 — CID 97348704

IUPAC(2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CCO1
InChIInChI=1S/C14H16F3N3O3/c1-18-12(21)11-8-20(6-7-23-11)13(22)19-10-4-2-9(3-5-10)14(15,16)17/h2-5,11H,6-8H2,1H3,(H,18,21)(H,19,22)/t11-/m0/s1
InChIKeyUAVBPUXAZIUCAE-NSHDSACASA-N
MW331.29 g/mol
LogP1.68
Rot. Bonds2

About (2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide

(2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide (PubChem CID 97348704) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is (2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide
PubChem CID97348704
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name(2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CCO1
InChIInChI=1S/C14H16F3N3O3/c1-18-12(21)11-8-20(6-7-23-11)13(22)19-10-4-2-9(3-5-10)14(15,16)17/h2-5,11H,6-8H2,1H3,(H,18,21)(H,19,22)/t11-/m0/s1
InChIKeyUAVBPUXAZIUCAE-NSHDSACASA-N
XLogP1.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide
CID 56911131
(2R)-N-methyl-4-(pyridine-4-carbonyl)morpholine-2-carboxamide
CID 95839438
(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575
4-acetyl-N-[3,3,3-trifluoro-1-[4-(trifluoromethyl)phenyl]propyl]morpholine-2-carboxamide
CID 155955831
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 126781841
(2R)-N-methyl-4-(2-phenylacetyl)morpholine-2-carboxamide
CID 95839396
N-methyl-4-(2-phenylacetyl)morpholine-2-carboxamide
CID 110268197
2-carbamothioyl-N-(4-chlorophenyl)morpholine-4-carboxamide
CID 79674938
2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 79675785
3-N,3-N-dimethyl-1-N-[4-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 56823749

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide?
The IUPAC name of (2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide (CID 97348704) is (2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide.
What is the SMILES notation for (2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide?
The canonical SMILES for (2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide is CNC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CCO1.
What is the InChIKey of (2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide?
The InChIKey is UAVBPUXAZIUCAE-NSHDSACASA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-18-12(21)11-8-20(6-7-23-11)13(22)19-10-4-2-9(3-5-10)14(15,16)17/h2-5,11H,6-8H2,1H3,(H,18,21)(H,19,22)/t11-/m0/s1.
What are the key properties of (2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide?
(2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide has a molecular weight of 331.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide is sourced from PubChem (CID 97348704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).