(2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine

C20H20ClFN4O — CID 99816366

IUPAC(2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCn1c(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)nnc1-c1ccccc1
InChIInChI=1S/C20H20ClFN4O/c1-25-19(23-24-20(25)14-5-3-2-4-6-14)13-26-9-10-27-18(12-26)15-7-8-17(22)16(21)11-15/h2-8,11,18H,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyPUHPZHSOLIMJDI-SFHVURJKSA-N
MW386.86 g/mol
LogP3.85
Rot. Bonds4

About (2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine

(2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine (PubChem CID 99816366) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
PubChem CID99816366
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC Name(2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCn1c(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)nnc1-c1ccccc1
InChIInChI=1S/C20H20ClFN4O/c1-25-19(23-24-20(25)14-5-3-2-4-6-14)13-26-9-10-27-18(12-26)15-7-8-17(22)16(21)11-15/h2-8,11,18H,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyPUHPZHSOLIMJDI-SFHVURJKSA-N
XLogP3.85
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine with MolForge

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Related Compounds

2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 126771666
(2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 98448962
2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 126784932
4-(4-benzylmorpholin-2-yl)-2-chlorophenol
CID 66654072
(2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine
CID 129402014
2-(3-chloro-4-fluorophenyl)-4-(6-methylpyrazin-2-yl)morpholine
CID 133469954
(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95303821
1-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 55853576
3-chloro-4-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892691
(2S)-4-[(2-chlorophenyl)methyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 8523033
2-(3,4-difluorophenyl)-4-[(4-methyl-1H-pyrazol-5-yl)methyl]morpholine
CID 126808566
(2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95303237

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
The IUPAC name of (2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine (CID 99816366) is (2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine is Cn1c(CN2CCO[C@H](c3ccc(F)c(Cl)c3)C2)nnc1-c1ccccc1.
What is the InChIKey of (2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
The InChIKey is PUHPZHSOLIMJDI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c1-25-19(23-24-20(25)14-5-3-2-4-6-14)13-26-9-10-27-18(12-26)15-7-8-17(22)16(21)11-15/h2-8,11,18H,9-10,12-13H2,1H3/t18-/m0/s1.
What are the key properties of (2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
(2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine has a molecular weight of 386.86 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine is sourced from PubChem (CID 99816366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).