2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C21H22F3N3O2 — CID 4818454

IUPAC2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C21H22F3N3O2/c22-21(23,24)16-5-6-19(26-9-11-29-12-10-26)17(13-16)25-20(28)14-27-8-7-15-3-1-2-4-18(15)27/h1-6,13H,7-12,14H2,(H,25,28)
InChIKeyNSACBILZFQGCCZ-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.54
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 4818454) has the molecular formula C21H22F3N3O2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID4818454
Molecular FormulaC21H22F3N3O2
Molecular Weight405.42 g/mol
Exact Mass405.17
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C21H22F3N3O2/c22-21(23,24)16-5-6-19(26-9-11-29-12-10-26)17(13-16)25-20(28)14-27-8-7-15-3-1-2-4-18(15)27/h1-6,13H,7-12,14H2,(H,25,28)
InChIKeyNSACBILZFQGCCZ-UHFFFAOYSA-N
XLogP3.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 108807350
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
CID 39923349
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26880814
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 8686577
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24554961
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 41083870
3-methylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2541397
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 41114557
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-1-carboxylate
CID 2437347
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 25333292
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 41093489
N-(2,5-dimethylphenyl)-2-[methyl-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]amino]acetamide
CID 4818630

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 4818454) is 2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NSACBILZFQGCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O2/c22-21(23,24)16-5-6-19(26-9-11-29-12-10-26)17(13-16)25-20(28)14-27-8-7-15-3-1-2-4-18(15)27/h1-6,13H,7-12,14H2,(H,25,28).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 405.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4818454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).