4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide

C26H32FN3O2 — CID 66621576

IUPAC4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide
SMILESCN(C)C1(c2cccc(F)c2)CCC(NC(=O)CCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C26H32FN3O2/c1-29(2)26(20-7-5-8-21(27)18-20)15-12-22(13-16-26)28-24(31)10-11-25(32)30-17-14-19-6-3-4-9-23(19)30/h3-9,18,22H,10-17H2,1-2H3,(H,28,31)
InChIKeyVRQPXDSLCDQEHX-UHFFFAOYSA-N
MW437.56 g/mol
LogP4.01
Rot. Bonds6

About 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide

4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide (PubChem CID 66621576) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide
PubChem CID66621576
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide
SMILESCN(C)C1(c2cccc(F)c2)CCC(NC(=O)CCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C26H32FN3O2/c1-29(2)26(20-7-5-8-21(27)18-20)15-12-22(13-16-26)28-24(31)10-11-25(32)30-17-14-19-6-3-4-9-23(19)30/h3-9,18,22H,10-17H2,1-2H3,(H,28,31)
InChIKeyVRQPXDSLCDQEHX-UHFFFAOYSA-N
XLogP4.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
CID 109034782
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide
CID 78862673
1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 166689497
N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide
CID 11669193
N-cyclopropyl-2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 9053395
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)acetamide
CID 113132426
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[[4-(3-fluorophenyl)oxan-4-yl]methyl]urea
CID 86880842
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluorophenyl)methyl-methylamino]propan-1-one
CID 8516194
N-[2-(3-fluorophenyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 108901276
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 110983412

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide (CID 66621576) is 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide is CN(C)C1(c2cccc(F)c2)CCC(NC(=O)CCC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide?
The InChIKey is VRQPXDSLCDQEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-29(2)26(20-7-5-8-21(27)18-20)15-12-22(13-16-26)28-24(31)10-11-25(32)30-17-14-19-6-3-4-9-23(19)30/h3-9,18,22H,10-17H2,1-2H3,(H,28,31).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide?
4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide has a molecular weight of 437.56 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide is sourced from PubChem (CID 66621576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).