N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide

C20H18F3N3O2 — CID 126784188

IUPACN-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)N1CCOC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)15-3-1-2-14(10-15)18-12-26(8-9-28-18)19(27)25-16-5-4-13-6-7-24-17(13)11-16/h1-7,10-11,18,24H,8-9,12H2,(H,25,27)
InChIKeyTWIGTZZQQOVRAI-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.79
Rot. Bonds2

About N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide

N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide (PubChem CID 126784188) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
PubChem CID126784188
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC NameN-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)N1CCOC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)15-3-1-2-14(10-15)18-12-26(8-9-28-18)19(27)25-16-5-4-13-6-7-24-17(13)11-16/h1-7,10-11,18,24H,8-9,12H2,(H,25,27)
InChIKeyTWIGTZZQQOVRAI-UHFFFAOYSA-N
XLogP4.79
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 126781841
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
[(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride
CID 120935931
N-(1-ethylpiperidin-3-yl)oxy-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 167823753
methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate
CID 71981585
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 86987031
1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405304
(2S)-2-(3-fluorophenyl)-N-thiophen-3-ylmorpholine-4-carboxamide
CID 99775755
[(2R)-2-(4-bromophenyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 95215393
(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124692216
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide (CID 126784188) is N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide is O=C(Nc1ccc2cc[nH]c2c1)N1CCOC(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is TWIGTZZQQOVRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c21-20(22,23)15-3-1-2-14(10-15)18-12-26(8-9-28-18)19(27)25-16-5-4-13-6-7-24-17(13)11-16/h1-7,10-11,18,24H,8-9,12H2,(H,25,27).
What are the key properties of N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 126784188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).