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

C19H24FN5O3 — CID 42449009

IUPACN-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide
SMILESC[C@@H]1CN(C(=O)c2cn(CCNC(=O)Cc3ccccc3F)nn2)C[C@H](C)O1
InChIInChI=1S/C19H24FN5O3/c1-13-10-24(11-14(2)28-13)19(27)17-12-25(23-22-17)8-7-21-18(26)9-15-5-3-4-6-16(15)20/h3-6,12-14H,7-11H2,1-2H3,(H,21,26)/t13-,14+
InChIKeyHDENNERHAIVYBZ-OKILXGFUSA-N
MW389.43 g/mol
LogP1.03
Rot. Bonds6

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

N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 42449009) has the molecular formula C19H24FN5O3 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID42449009
Molecular FormulaC19H24FN5O3
Molecular Weight389.43 g/mol
Exact Mass389.19
IUPAC NameN-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide
SMILESC[C@@H]1CN(C(=O)c2cn(CCNC(=O)Cc3ccccc3F)nn2)C[C@H](C)O1
InChIInChI=1S/C19H24FN5O3/c1-13-10-24(11-14(2)28-13)19(27)17-12-25(23-22-17)8-7-21-18(26)9-15-5-3-4-6-16(15)20/h3-6,12-14H,7-11H2,1-2H3,(H,21,26)/t13-,14+
InChIKeyHDENNERHAIVYBZ-OKILXGFUSA-N
XLogP1.03
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)-N-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]acetamide
CID 42437650
1-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-N-[(2-fluorophenyl)methyl]triazole-4-carboxamide
CID 26326355
N-[2-[4-(4-methyl-1,4-diazepane-1-carbonyl)triazol-1-yl]ethyl]-2-naphthalen-2-ylacetamide
CID 25306522
[1-(2-chlorophenyl)triazol-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 95157090
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-[(2-fluorophenyl)methyl]indol-2-yl]methanone
CID 52528847
N-[2-(ethylamino)ethyl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 119260410
3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide
CID 42189042
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-fluorophenyl)propanamide
CID 46433864
2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide
CID 46959742
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 42591846
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide (CID 42449009) is N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide is C[C@@H]1CN(C(=O)c2cn(CCNC(=O)Cc3ccccc3F)nn2)C[C@H](C)O1.
What is the InChIKey of N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is HDENNERHAIVYBZ-OKILXGFUSA-N. The full InChI is InChI=1S/C19H24FN5O3/c1-13-10-24(11-14(2)28-13)19(27)17-12-25(23-22-17)8-7-21-18(26)9-15-5-3-4-6-16(15)20/h3-6,12-14H,7-11H2,1-2H3,(H,21,26)/t13-,14+.
What are the key properties of N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide?
N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]triazol-1-yl]ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 42449009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).