N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C24H26FN3O2 — CID 11711207

IUPACN-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCN(C)C1(c2cccc(F)c2)CCC(NC(=O)C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H26FN3O2/c1-28(2)24(16-6-5-7-17(25)14-16)12-10-18(11-13-24)27-23(30)22(29)20-15-26-21-9-4-3-8-19(20)21/h3-9,14-15,18,26H,10-13H2,1-2H3,(H,27,30)
InChIKeyNMBWYIGIOCHPFY-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.01
Rot. Bonds5

About N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 11711207) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID11711207
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC NameN-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCN(C)C1(c2cccc(F)c2)CCC(NC(=O)C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H26FN3O2/c1-28(2)24(16-6-5-7-17(25)14-16)12-10-18(11-13-24)27-23(30)22(29)20-15-26-21-9-4-3-8-19(20)21/h3-9,14-15,18,26H,10-13H2,1-2H3,(H,27,30)
InChIKeyNMBWYIGIOCHPFY-UHFFFAOYSA-N
XLogP4.01
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-phenoxybenzamide
CID 11669193
N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide
CID 121021872
N-cyclopentyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208021
1-(3-fluorophenyl)-N,N-dimethyl-4-(3-methyl-1H-indol-2-yl)cyclohexan-1-amine
CID 66782954
2-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexylidene]-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide;hydrochloride
CID 11712508
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 38112267
[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl] N-[4-(dimethylamino)-4-phenylcyclohexyl]carbamate
CID 69150882
N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
1-[4-(dimethylamino)-4-phenylcyclohexyl]-3-[1-(1H-indol-3-yl)propan-2-yl]thiourea
CID 86601794
2-(1H-indol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]-2-oxoacetamide
CID 7117325
4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-4-oxobutanamide
CID 66621576

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 11711207) is N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide is CN(C)C1(c2cccc(F)c2)CCC(NC(=O)C(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is NMBWYIGIOCHPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-28(2)24(16-6-5-7-17(25)14-16)12-10-18(11-13-24)27-23(30)22(29)20-15-26-21-9-4-3-8-19(20)21/h3-9,14-15,18,26H,10-13H2,1-2H3,(H,27,30).
What are the key properties of N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 407.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-4-(3-fluorophenyl)cyclohexyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 11711207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).