[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone

C18H23ClFN5O2 — CID 167967248

IUPAC[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
SMILESCc1c(C(=O)N2CCOC(CCN(C)C)C2)nnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H23ClFN5O2/c1-12-17(21-22-25(12)13-4-5-16(20)15(19)10-13)18(26)24-8-9-27-14(11-24)6-7-23(2)3/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyWFVWGLHQJNQGMB-UHFFFAOYSA-N
MW395.87 g/mol
LogP2.16
Rot. Bonds5

About [1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone

[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone (PubChem CID 167967248) has the molecular formula C18H23ClFN5O2 and a molecular weight of 395.87 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
PubChem CID167967248
Molecular FormulaC18H23ClFN5O2
Molecular Weight395.87 g/mol
Exact Mass395.15
IUPAC Name[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
SMILESCc1c(C(=O)N2CCOC(CCN(C)C)C2)nnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H23ClFN5O2/c1-12-17(21-22-25(12)13-4-5-16(20)15(19)10-13)18(26)24-8-9-27-14(11-24)6-7-23(2)3/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyWFVWGLHQJNQGMB-UHFFFAOYSA-N
XLogP2.16
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-3-(dimethylamino)prop-2-en-1-one
CID 5713982
1-(2-fluorophenyl)-5-methyl-N-(4-morpholinophenyl)-1H-1,2,3-triazole-4-carboxamide
CID 16649265
1-(2-chlorophenyl)-N,5-dimethyl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
CID 53583979
1-(2-chlorophenyl)-N-(3-methoxypropyl)-N,5-dimethyltriazole-4-carboxamide
CID 53609222
1-(4-chloro-2-fluorophenyl)-5-methyl-N-(oxan-3-yl)triazole-4-carboxamide
CID 84584648
1-(2-chlorophenyl)-5-methyl-N-(tetrahydrofuran-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 16649405
ethyl 4-[1-(3-chlorophenyl)-1H-1,2,3-triazole-4-carbonyl]piperazine-1-carboxylate
CID 25759541
[2-(Dimethylamino)-2-oxoethyl] 1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxylate
CID 53604136
1-(3-chloro-4-fluorophenyl)-5-methyl-N-(oxolan-3-ylmethyl)triazole-4-carboxamide
CID 56784121
1-(4-chloro-2-fluorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyltriazole-4-carboxamide
CID 71873266
1-(4-fluorophenyl)-5-methyl-N-(4-morpholinophenyl)-1H-1,2,3-triazole-4-carboxamide
CID 16648927
2-[[3-(4-chloro-2-fluorophenyl)-5-methyltriazol-4-yl]methyl]-5-[(2R)-2-methylmorpholin-4-yl]pyridazin-3-one
CID 157046416

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone (CID 167967248) is [1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone is Cc1c(C(=O)N2CCOC(CCN(C)C)C2)nnn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone?
The InChIKey is WFVWGLHQJNQGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN5O2/c1-12-17(21-22-25(12)13-4-5-16(20)15(19)10-13)18(26)24-8-9-27-14(11-24)6-7-23(2)3/h4-5,10,14H,6-9,11H2,1-3H3.
What are the key properties of [1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone?
[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone has a molecular weight of 395.87 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 167967248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).