[2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone

C19H17ClF3NO2 — CID 95399137

IUPAC[2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccccc1Cc1ccc(Cl)cc1)N1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C19H17ClF3NO2/c20-15-7-5-13(6-8-15)11-14-3-1-2-4-16(14)18(25)24-9-10-26-17(12-24)19(21,22)23/h1-8,17H,9-12H2/t17-/m1/s1
InChIKeyDGPJVMZVIULJAP-QGZVFWFLSA-N
MW383.80 g/mol
LogP4.33
Rot. Bonds3

About [2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone

[2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 95399137) has the molecular formula C19H17ClF3NO2 and a molecular weight of 383.80 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID95399137
Molecular FormulaC19H17ClF3NO2
Molecular Weight383.80 g/mol
Exact Mass383.09
IUPAC Name[2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccccc1Cc1ccc(Cl)cc1)N1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C19H17ClF3NO2/c20-15-7-5-13(6-8-15)11-14-3-1-2-4-16(14)18(25)24-9-10-26-17(12-24)19(21,22)23/h1-8,17H,9-12H2/t17-/m1/s1
InChIKeyDGPJVMZVIULJAP-QGZVFWFLSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile
CID 46991082
6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56862466
anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95539252
2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95426731
(3S)-1-(2-benzylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703438
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
2-(benzylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
CID 154892255
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634
(8-hydroxyquinolin-7-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95555898
1-(2-benzylbenzoyl)piperidine-3-carboxylic acid
CID 45429245
6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56870455
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone (CID 95399137) is [2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone is O=C(c1ccccc1Cc1ccc(Cl)cc1)N1CCO[C@@H](C(F)(F)F)C1.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is DGPJVMZVIULJAP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17ClF3NO2/c20-15-7-5-13(6-8-15)11-14-3-1-2-4-16(14)18(25)24-9-10-26-17(12-24)19(21,22)23/h1-8,17H,9-12H2/t17-/m1/s1.
What are the key properties of [2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone?
[2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 383.80 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95399137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).