2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide

C23H26FN3O2 — CID 56527681

IUPAC2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCOC(c4ccc(F)cc4)C3)ccc21
InChIInChI=1S/C23H26FN3O2/c1-16(2)14-26-10-9-18-13-20(7-8-21(18)26)25-23(28)27-11-12-29-22(15-27)17-3-5-19(24)6-4-17/h3-10,13,16,22H,11-12,14-15H2,1-2H3,(H,25,28)
InChIKeyLKGITRCGPIPOKI-UHFFFAOYSA-N
MW395.48 g/mol
LogP5.04
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide

2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide (PubChem CID 56527681) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
PubChem CID56527681
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCOC(c4ccc(F)cc4)C3)ccc21
InChIInChI=1S/C23H26FN3O2/c1-16(2)14-26-10-9-18-13-20(7-8-21(18)26)25-23(28)27-11-12-29-22(15-27)17-3-5-19(24)6-4-17/h3-10,13,16,22H,11-12,14-15H2,1-2H3,(H,25,28)
InChIKeyLKGITRCGPIPOKI-UHFFFAOYSA-N
XLogP5.04
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
CID 55696920
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide
CID 56527612
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 55698518
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 97092328
(2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
CID 120940198
N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 86987031
(2R)-2-(4-fluorophenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-carboxamide
CID 94031044

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide (CID 56527681) is 2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide is CC(C)Cn1ccc2cc(NC(=O)N3CCOC(c4ccc(F)cc4)C3)ccc21.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide?
The InChIKey is LKGITRCGPIPOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16(2)14-26-10-9-18-13-20(7-8-21(18)26)25-23(28)27-11-12-29-22(15-27)17-3-5-19(24)6-4-17/h3-10,13,16,22H,11-12,14-15H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide?
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide is sourced from PubChem (CID 56527681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).