2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide

C20H21ClF3N3O3 — CID 87679982

IUPAC2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)N2CCOC(COc3cc(C(F)(F)F)ccc3Cl)C2)c1
InChIInChI=1S/C20H21ClF3N3O3/c1-12-7-13(2)25-18(8-12)26-19(28)27-5-6-29-15(10-27)11-30-17-9-14(20(22,23)24)3-4-16(17)21/h3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,25,26,28)
InChIKeyVJCKNDXFSHMOAI-UHFFFAOYSA-N
MW443.85 g/mol
LogP4.68
Rot. Bonds4

About 2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide

2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide (PubChem CID 87679982) has the molecular formula C20H21ClF3N3O3 and a molecular weight of 443.85 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide
PubChem CID87679982
Molecular FormulaC20H21ClF3N3O3
Molecular Weight443.85 g/mol
Exact Mass443.12
IUPAC Name2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)N2CCOC(COc3cc(C(F)(F)F)ccc3Cl)C2)c1
InChIInChI=1S/C20H21ClF3N3O3/c1-12-7-13(2)25-18(8-12)26-19(28)27-5-6-29-15(10-27)11-30-17-9-14(20(22,23)24)3-4-16(17)21/h3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,25,26,28)
InChIKeyVJCKNDXFSHMOAI-UHFFFAOYSA-N
XLogP4.68
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.85
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-5-fluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide
CID 24899481
2-[(2-chloro-3-pyridinyl)oxymethyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 87680787
2-[(3,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 69065222
2-[(3-chloro-4-fluorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 69071497
N-(4,6-dimethyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)phenoxy]methyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 87679538
2-[(2-chlorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 69073211
2-[(2-chloro-5-fluorophenoxy)methyl]-N-[6-(hydroxymethyl)-2-pyridinyl]morpholine-4-carboxamide
CID 69071874
(2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 92760487
N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-2-(ethoxymethyl)morpholine-4-carboxamide
CID 132972415
3-[2-(2-chlorophenoxy)ethyl]-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-carboxamide
CID 69064453
methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate
CID 3446701
(3S,4S)-1-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122090007

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide?
The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide (CID 87679982) is 2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide?
The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide is Cc1cc(C)nc(NC(=O)N2CCOC(COc3cc(C(F)(F)F)ccc3Cl)C2)c1.
What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide?
The InChIKey is VJCKNDXFSHMOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O3/c1-12-7-13(2)25-18(8-12)26-19(28)27-5-6-29-15(10-27)11-30-17-9-14(20(22,23)24)3-4-16(17)21/h3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,25,26,28).
What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide?
2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide has a molecular weight of 443.85 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]-N-(4,6-dimethyl-2-pyridinyl)morpholine-4-carboxamide is sourced from PubChem (CID 87679982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).