2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide

C19H24ClN5O3 — CID 42437650

IUPAC2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide
SMILESC[C@@H]1CN(C(=O)c2cn(CCNC(=O)Cc3cccc(Cl)c3)nn2)C[C@H](C)O1
InChIInChI=1S/C19H24ClN5O3/c1-13-10-24(11-14(2)28-13)19(27)17-12-25(23-22-17)7-6-21-18(26)9-15-4-3-5-16(20)8-15/h3-5,8,12-14H,6-7,9-11H2,1-2H3,(H,21,26)/t13-,14+
InChIKeyIVLNTSCVSYRVLA-OKILXGFUSA-N
MW405.89 g/mol
LogP1.54
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide

2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide (PubChem CID 42437650) has the molecular formula C19H24ClN5O3 and a molecular weight of 405.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide
PubChem CID42437650
Molecular FormulaC19H24ClN5O3
Molecular Weight405.89 g/mol
Exact Mass405.16
IUPAC Name2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide
SMILESC[C@@H]1CN(C(=O)c2cn(CCNC(=O)Cc3cccc(Cl)c3)nn2)C[C@H](C)O1
InChIInChI=1S/C19H24ClN5O3/c1-13-10-24(11-14(2)28-13)19(27)17-12-25(23-22-17)7-6-21-18(26)9-15-4-3-5-16(20)8-15/h3-5,8,12-14H,6-7,9-11H2,1-2H3,(H,21,26)/t13-,14+
InChIKeyIVLNTSCVSYRVLA-OKILXGFUSA-N
XLogP1.54
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide with MolForge

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Related Compounds

N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide
CID 42449009
N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide
CID 25306522
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 55629070
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119509114
[1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 95157090
3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 35814912
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66290374
(6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid
CID 120536293
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
[1-(3-chlorophenyl)pyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 94582638
1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide
CID 42189042

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide (CID 42437650) is 2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide is C[C@@H]1CN(C(=O)c2cn(CCNC(=O)Cc3cccc(Cl)c3)nn2)C[C@H](C)O1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide?
The InChIKey is IVLNTSCVSYRVLA-OKILXGFUSA-N. The full InChI is InChI=1S/C19H24ClN5O3/c1-13-10-24(11-14(2)28-13)19(27)17-12-25(23-22-17)7-6-21-18(26)9-15-4-3-5-16(20)8-15/h3-5,8,12-14H,6-7,9-11H2,1-2H3,(H,21,26)/t13-,14+.
What are the key properties of 2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide?
2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide has a molecular weight of 405.89 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 42437650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).