1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide

C16H16F3N3O3 — CID 56880926

IUPAC1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide
SMILESNC(=O)c1cn(CC(=O)N2CCOC(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C16H16F3N3O3/c17-16(18,19)13-8-21(5-6-25-13)14(23)9-22-7-11(15(20)24)10-3-1-2-4-12(10)22/h1-4,7,13H,5-6,8-9H2,(H2,20,24)
InChIKeyXXWWAKUIUOSUOH-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.53
Rot. Bonds3

About 1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide

1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 56880926) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide
PubChem CID56880926
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide
SMILESNC(=O)c1cn(CC(=O)N2CCOC(C(F)(F)F)C2)c2ccccc12
InChIInChI=1S/C16H16F3N3O3/c17-16(18,19)13-8-21(5-6-25-13)14(23)9-22-7-11(15(20)24)10-3-1-2-4-12(10)22/h1-4,7,13H,5-6,8-9H2,(H2,20,24)
InChIKeyXXWWAKUIUOSUOH-UHFFFAOYSA-N
XLogP1.53
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-2-oxoethyl]indole-3-carboxamide
CID 56878336
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
CID 47059443
(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid
CID 124698148
tert-butyl 4-[4-fluoro-1-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]indol-3-yl]piperidine-1-carboxylate
CID 171636550
1-[2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
CID 47061374
2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95426731
1-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]indole-3-carboxamide
CID 136567884
anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95539252
2-(benzylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
CID 154892255
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
2-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95724984
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 2174755

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide?
The IUPAC name of 1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide (CID 56880926) is 1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide?
The canonical SMILES for 1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide is NC(=O)c1cn(CC(=O)N2CCOC(C(F)(F)F)C2)c2ccccc12.
What is the InChIKey of 1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide?
The InChIKey is XXWWAKUIUOSUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c17-16(18,19)13-8-21(5-6-25-13)14(23)9-22-7-11(15(20)24)10-3-1-2-4-12(10)22/h1-4,7,13H,5-6,8-9H2,(H2,20,24).
What are the key properties of 1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide?
1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 56880926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).