3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide

C24H26F3N3O2 — CID 166191975

IUPAC3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C24H26F3N3O2/c25-24(26,27)19-8-5-17(6-9-19)22(30-11-13-32-14-12-30)16-29-23(31)10-7-18-15-28-21-4-2-1-3-20(18)21/h1-6,8-9,15,22,28H,7,10-14,16H2,(H,29,31)
InChIKeyNACPAOGFRALUEU-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.31
Rot. Bonds7

About 3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide

3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 166191975) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID166191975
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C24H26F3N3O2/c25-24(26,27)19-8-5-17(6-9-19)22(30-11-13-32-14-12-30)16-29-23(31)10-7-18-15-28-21-4-2-1-3-20(18)21/h1-6,8-9,15,22,28H,7,10-14,16H2,(H,29,31)
InChIKeyNACPAOGFRALUEU-UHFFFAOYSA-N
XLogP4.31
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 51186547
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-hydroxyphenyl)propanamide
CID 51334260
3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 51181050
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide
CID 4807743
4-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]butanamide;dihydrochloride
CID 119872533
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CID 110997385
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8504243
3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 2552209
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
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4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 24544360

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (CID 166191975) is 3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide is O=C(CCc1c[nH]c2ccccc12)NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is NACPAOGFRALUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c25-24(26,27)19-8-5-17(6-9-19)22(30-11-13-32-14-12-30)16-29-23(31)10-7-18-15-28-21-4-2-1-3-20(18)21/h1-6,8-9,15,22,28H,7,10-14,16H2,(H,29,31).
What are the key properties of 3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 445.49 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 166191975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).