(2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C24H28F3N3O2 — CID 2496899

IUPAC(2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@@H](Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H28F3N3O2/c1-16(23(31)29-20-8-4-6-17-5-2-3-7-19(17)20)28-21-15-18(24(25,26)27)9-10-22(21)30-11-13-32-14-12-30/h2-3,5,7,9-10,15-16,20,28H,4,6,8,11-14H2,1H3,(H,29,31)/t16-,20-/m1/s1
InChIKeyBJYPXOHCPPEOQG-OXQOHEQNSA-N
MW447.50 g/mol
LogP4.54
Rot. Bonds5

About (2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

(2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 2496899) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is (2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID2496899
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC Name(2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESC[C@@H](Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H28F3N3O2/c1-16(23(31)29-20-8-4-6-17-5-2-3-7-19(17)20)28-21-15-18(24(25,26)27)9-10-22(21)30-11-13-32-14-12-30/h2-3,5,7,9-10,15-16,20,28H,4,6,8,11-14H2,1H3,(H,29,31)/t16-,20-/m1/s1
InChIKeyBJYPXOHCPPEOQG-OXQOHEQNSA-N
XLogP4.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-methoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40973577
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4676497
2-(2-ethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4880385
2-(3-methylanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 42911850
(2S)-2-(2,4-dimethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40785642
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
2-(4-acetamidoanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 42911776
(2R)-2-(2,4-dimethylimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 92808243
N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55559378
6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide
CID 124727741
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 8548196

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of (2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 2496899) is (2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for (2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is C[C@@H](Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of (2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is BJYPXOHCPPEOQG-OXQOHEQNSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c1-16(23(31)29-20-8-4-6-17-5-2-3-7-19(17)20)28-21-15-18(24(25,26)27)9-10-22(21)30-11-13-32-14-12-30/h2-3,5,7,9-10,15-16,20,28H,4,6,8,11-14H2,1H3,(H,29,31)/t16-,20-/m1/s1.
What are the key properties of (2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
(2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 447.50 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 2496899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).