(2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide

C16H20ClN5O2 — CID 94657836

IUPAC(2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)c1nncn1C
InChIInChI=1S/C16H20ClN5O2/c1-11(15-20-18-10-21(15)2)19-16(23)22-7-8-24-14(9-22)12-3-5-13(17)6-4-12/h3-6,10-11,14H,7-9H2,1-2H3,(H,19,23)/t11-,14-/m0/s1
InChIKeyIZBWHIDOMUOJMR-FZMZJTMJSA-N
MW349.82 g/mol
LogP2.31
Rot. Bonds3

About (2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide

(2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide (PubChem CID 94657836) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
PubChem CID94657836
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name(2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)c1nncn1C
InChIInChI=1S/C16H20ClN5O2/c1-11(15-20-18-10-21(15)2)19-16(23)22-7-8-24-14(9-22)12-3-5-13(17)6-4-12/h3-6,10-11,14H,7-9H2,1-2H3,(H,19,23)/t11-,14-/m0/s1
InChIKeyIZBWHIDOMUOJMR-FZMZJTMJSA-N
XLogP2.31
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide 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

(2R)-2-(4-fluorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
CID 94119926
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide
CID 94119922
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 80543163
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064
[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
CID 47341691
2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
CID 87036056
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 60558538
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpentan-1-one
CID 104684562

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide (CID 94657836) is (2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide is C[C@H](NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)c1nncn1C.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is IZBWHIDOMUOJMR-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-11(15-20-18-10-21(15)2)19-16(23)22-7-8-24-14(9-22)12-3-5-13(17)6-4-12/h3-6,10-11,14H,7-9H2,1-2H3,(H,19,23)/t11-,14-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide?
(2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 94657836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).