N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide

C28H32F3N3O3 — CID 15104466

IUPACN-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide
SMILESCCCCN(C(=O)C(F)(F)F)c1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C28H32F3N3O3/c1-3-4-13-34(27(36)28(29,30)31)22-11-9-21(10-12-22)26(35)25-20(2)33(24-8-6-5-7-23(24)25)15-14-32-16-18-37-19-17-32/h5-12H,3-4,13-19H2,1-2H3
InChIKeyARVHRBPOHZLMLX-UHFFFAOYSA-N
MW515.58 g/mol
LogP5.21
Rot. Bonds9

About N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide

N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide (PubChem CID 15104466) has the molecular formula C28H32F3N3O3 and a molecular weight of 515.58 g/mol. Its IUPAC name is N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide
PubChem CID15104466
Molecular FormulaC28H32F3N3O3
Molecular Weight515.58 g/mol
Exact Mass515.24
IUPAC NameN-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide
SMILESCCCCN(C(=O)C(F)(F)F)c1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C28H32F3N3O3/c1-3-4-13-34(27(36)28(29,30)31)22-11-9-21(10-12-22)26(35)25-20(2)33(24-8-6-5-7-23(24)25)15-14-32-16-18-37-19-17-32/h5-12H,3-4,13-19H2,1-2H3
InChIKeyARVHRBPOHZLMLX-UHFFFAOYSA-N
XLogP5.21
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.58
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide with MolForge

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Related Compounds

[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(4-methylnaphthalen-2-yl)methanone
CID 56837830
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110497283
[3-(4-methoxybenzoyl)-1-(2-morpholin-4-ylethyl)indol-2-yl]methanesulfonic acid;hydrate
CID 139640512
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
3-butyl-1-(3-morpholin-4-ylpropyl)quinazoline-2,4-dione
CID 71495168
1-(2-morpholin-4-ylethyl)-4-prop-1-en-2-ylquinazolin-2-one
CID 142227752
4-fluoro-N-(2-morpholin-4-ylethyl)-N-phenylbenzamide
CID 134025432
2-[2-ethyl-1-(2-piperidin-1-ylethyl)indol-3-yl]-2-oxoacetic acid
CID 67243320
[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]-naphthalen-1-ylmethanone
CID 53358257
(4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 170857357
[1-(11-methoxyundecyl)-2-methylindol-3-yl]-phenylmethanone
CID 70528535

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide?
The IUPAC name of N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide (CID 15104466) is N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide?
The canonical SMILES for N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide is CCCCN(C(=O)C(F)(F)F)c1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide?
The InChIKey is ARVHRBPOHZLMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O3/c1-3-4-13-34(27(36)28(29,30)31)22-11-9-21(10-12-22)26(35)25-20(2)33(24-8-6-5-7-23(24)25)15-14-32-16-18-37-19-17-32/h5-12H,3-4,13-19H2,1-2H3.
What are the key properties of N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide?
N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide has a molecular weight of 515.58 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,2-trifluoro-N-[4-[2-methyl-1-(2-morpholin-4-ylethyl)indole-3-carbonyl]phenyl]acetamide is sourced from PubChem (CID 15104466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).