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

C18H15ClF3NO2 — CID 56763874

IUPAC(3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H15ClF3NO2/c19-15-3-1-2-13(10-15)17(24)23-8-9-25-16(11-23)12-4-6-14(7-5-12)18(20,21)22/h1-7,10,16H,8-9,11H2
InChIKeyRDAOAEALIZEQFH-UHFFFAOYSA-N
MW369.77 g/mol
LogP4.57
Rot. Bonds2

About (3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

(3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 56763874) has the molecular formula C18H15ClF3NO2 and a molecular weight of 369.77 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID56763874
Molecular FormulaC18H15ClF3NO2
Molecular Weight369.77 g/mol
Exact Mass369.07
IUPAC Name(3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C18H15ClF3NO2/c19-15-3-1-2-13(10-15)17(24)23-8-9-25-16(11-23)12-4-6-14(7-5-12)18(20,21)22/h1-7,10,16H,8-9,11H2
InChIKeyRDAOAEALIZEQFH-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.77
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bibb-515
CID 501398
4-[(2S)-1-[(4-chlorophenyl)methoxy]-3-phenylpropan-2-yl]-1-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
CID 17756888
4-[1-[(4-Chlorophenyl)methoxy]-3-phenylpropan-2-yl]-1-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
CID 6096439
4-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide
CID 58315590
3-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide
CID 58315691
4-chloro-N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]benzamide
CID 58315752
3-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]benzamide
CID 58315802
4-[1-[(3-Chlorophenyl)methoxy]-4-methylpentan-2-yl]-1-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
CID 6098306
4-[(2S)-1-[(3-chlorophenyl)methoxy]-4-methylpentan-2-yl]-1-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
CID 25010902
2-chloro-6-fluoro-N-(2-(2-phenylmorpholino)ethyl)benzamide
CID 16892429
(2-Chloro-6-fluorophenyl)(2-phenylmorpholino)methanone
CID 16894681
(3,4-Difluorophenyl)(2-phenylmorpholino)methanone
CID 16894709

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 56763874) is (3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is O=C(c1cccc(Cl)c1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is RDAOAEALIZEQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3NO2/c19-15-3-1-2-13(10-15)17(24)23-8-9-25-16(11-23)12-4-6-14(7-5-12)18(20,21)22/h1-7,10,16H,8-9,11H2.
What are the key properties of (3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
(3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 369.77 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 56763874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).