(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

C18H19F3N2O2 — CID 95554052

IUPAC(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1c[nH]c(C(=O)N2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C18H19F3N2O2/c1-12-7-16(22-10-12)17(24)23-5-6-25-15(11-23)9-13-3-2-4-14(8-13)18(19,20)21/h2-4,7-8,10,15,22H,5-6,9,11H2,1H3/t15-/m1/s1
InChIKeyXTPPNLJQKPMHPV-OAHLLOKOSA-N
MW352.36 g/mol
LogP3.43
Rot. Bonds3

About (4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone

(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 95554052) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is (4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID95554052
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1c[nH]c(C(=O)N2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C18H19F3N2O2/c1-12-7-16(22-10-12)17(24)23-5-6-25-15(11-23)9-13-3-2-4-14(8-13)18(19,20)21/h2-4,7-8,10,15,22H,5-6,9,11H2,1H3/t15-/m1/s1
InChIKeyXTPPNLJQKPMHPV-OAHLLOKOSA-N
XLogP3.43
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1,5-dimethylpyrazol-3-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358801
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358800
(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 45217332
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 56918384
(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 25374537
(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 26408379
1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 91790975
2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol
CID 56864108
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 61338561
5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95563019
[5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol
CID 45212990
3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one
CID 56867974

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of (4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone (CID 95554052) is (4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is Cc1c[nH]c(C(=O)N2CCO[C@H](Cc3cccc(C(F)(F)F)c3)C2)c1.
What is the InChIKey of (4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is XTPPNLJQKPMHPV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-12-7-16(22-10-12)17(24)23-5-6-25-15(11-23)9-13-3-2-4-14(8-13)18(19,20)21/h2-4,7-8,10,15,22H,5-6,9,11H2,1H3/t15-/m1/s1.
What are the key properties of (4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone?
(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 352.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 95554052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).