(2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

C23H26F3N3O2 — CID 40809995

IUPAC(2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C23H26F3N3O2/c1-15(27-19-7-5-16-3-2-4-17(16)13-19)22(30)28-20-14-18(23(24,25)26)6-8-21(20)29-9-11-31-12-10-29/h5-8,13-15,27H,2-4,9-12H2,1H3,(H,28,30)/t15-/m1/s1
InChIKeyFNIZHQHLXPOJHA-OAHLLOKOSA-N
MW433.47 g/mol
LogP4.47
Rot. Bonds5

About (2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide

(2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 40809995) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
PubChem CID40809995
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name(2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C23H26F3N3O2/c1-15(27-19-7-5-16-3-2-4-17(16)13-19)22(30)28-20-14-18(23(24,25)26)6-8-21(20)29-9-11-31-12-10-29/h5-8,13-15,27H,2-4,9-12H2,1H3,(H,28,30)/t15-/m1/s1
InChIKeyFNIZHQHLXPOJHA-OAHLLOKOSA-N
XLogP4.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide with MolForge

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Related Compounds

(2R)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 40795984
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CID 42911850
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
(2S)-2-(2-methoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40973577
(2S)-2-(2,4-dimethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 40785642
2-(2-ethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4880385
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4676497
(2R)-2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2496899
2-butylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 112781252
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 25359721
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide (CID 40809995) is (2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of (2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FNIZHQHLXPOJHA-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-15(27-19-7-5-16-3-2-4-17(16)13-19)22(30)28-20-14-18(23(24,25)26)6-8-21(20)29-9-11-31-12-10-29/h5-8,13-15,27H,2-4,9-12H2,1H3,(H,28,30)/t15-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide?
(2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 433.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 40809995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).