(2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide

C15H18ClF3N2O3 — CID 38938290

IUPAC(2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C15H18ClF3N2O3/c1-10(24-9-15(17,18)19)14(22)20-12-4-2-3-11(16)13(12)21-5-7-23-8-6-21/h2-4,10H,5-9H2,1H3,(H,20,22)/t10-/m0/s1
InChIKeyBALSUCWNRQGCNP-JTQLQIEISA-N
MW366.77 g/mol
LogP3.08
Rot. Bonds5

About (2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide

(2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 38938290) has the molecular formula C15H18ClF3N2O3 and a molecular weight of 366.77 g/mol. Its IUPAC name is (2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID38938290
Molecular FormulaC15H18ClF3N2O3
Molecular Weight366.77 g/mol
Exact Mass366.10
IUPAC Name(2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C15H18ClF3N2O3/c1-10(24-9-15(17,18)19)14(22)20-12-4-2-3-11(16)13(12)21-5-7-23-8-6-21/h2-4,10H,5-9H2,1H3,(H,20,22)/t10-/m0/s1
InChIKeyBALSUCWNRQGCNP-JTQLQIEISA-N
XLogP3.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide
CID 119840536
N-(3-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111432211
4-amino-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methoxybutanamide;dihydrochloride
CID 120595047
N-(4-pyrrolidin-1-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 42960613
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 30461638
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 41270501
N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077650
(5R)-N-(3-chloro-2-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1,4-diazepane-1-carboxamide
CID 95784144
(2R)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51729034
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
2-(2-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)propanamide
CID 134037929

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 38938290) is (2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide is C[C@H](OCC(F)(F)F)C(=O)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of (2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is BALSUCWNRQGCNP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18ClF3N2O3/c1-10(24-9-15(17,18)19)14(22)20-12-4-2-3-11(16)13(12)21-5-7-23-8-6-21/h2-4,10H,5-9H2,1H3,(H,20,22)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 366.77 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 38938290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).