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

C20H18F3N3O2 — CID 126781841

IUPACN-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)15-4-1-14(2-5-15)18-12-26(9-10-28-18)19(27)25-16-6-3-13-7-8-24-17(13)11-16/h1-8,11,18,24H,9-10,12H2,(H,25,27)
InChIKeyRRPZCVMHCPKCOH-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.79
Rot. Bonds2

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

N-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide (PubChem CID 126781841) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide
PubChem CID126781841
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC NameN-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)15-4-1-14(2-5-15)18-12-26(9-10-28-18)19(27)25-16-6-3-13-7-8-24-17(13)11-16/h1-8,11,18,24H,9-10,12H2,(H,25,27)
InChIKeyRRPZCVMHCPKCOH-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-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 126784188
[(2R)-2-(4-bromophenyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 95215393
2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
CID 55696920
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
(2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide
CID 97348704
2-methyl-3-oxo-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 122066523
N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 86987031
2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 55698518
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
CID 56527681
[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 97350041
1-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethyl]cyclobutane-1-carboxylic acid
CID 120551770
N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide
CID 110327203

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide (CID 126781841) is N-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide is O=C(Nc1ccc2cc[nH]c2c1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is RRPZCVMHCPKCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c21-20(22,23)15-4-1-14(2-5-15)18-12-26(9-10-28-18)19(27)25-16-6-3-13-7-8-24-17(13)11-16/h1-8,11,18,24H,9-10,12H2,(H,25,27).
What are the key properties of N-(1H-indol-6-yl)-2-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide?
N-(1H-indol-6-yl)-2-[4-(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-[4-(trifluoromethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 126781841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).