N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide

C24H26FN3O3 — CID 166332272

IUPACN-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide
SMILESCC1(C)CCc2cc(NC(=O)C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C24H26FN3O3/c1-24(2)10-9-17-15-19(7-8-20(17)24)26-21(29)23(31)28-13-11-27(12-14-28)22(30)16-3-5-18(25)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,26,29)
InChIKeyFHWFZLHMPOXQPN-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.97
Rot. Bonds2

About N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide

N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 166332272) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID166332272
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC NameN-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide
SMILESCC1(C)CCc2cc(NC(=O)C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C24H26FN3O3/c1-24(2)10-9-17-15-19(7-8-20(17)24)26-21(29)23(31)28-13-11-27(12-14-28)22(30)16-3-5-18(25)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,26,29)
InChIKeyFHWFZLHMPOXQPN-UHFFFAOYSA-N
XLogP2.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 58350638
4-(4-fluorobenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78871756
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 166205674
2-(4-ethylpiperazin-1-yl)-2-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 87039947
N-(4-bromo-3-methylphenyl)-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112824486
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-yl-2-oxoacetamide
CID 108514130
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-fluorobenzamide
CID 16942833
1-(4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107161015
2-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 39080492
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44892063
[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea
CID 46697484

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide (CID 166332272) is N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide is CC1(C)CCc2cc(NC(=O)C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc21.
What is the InChIKey of N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is FHWFZLHMPOXQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-24(2)10-9-17-15-19(7-8-20(17)24)26-21(29)23(31)28-13-11-27(12-14-28)22(30)16-3-5-18(25)6-4-16/h3-8,15H,9-14H2,1-2H3,(H,26,29).
What are the key properties of N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide?
N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 423.49 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethyl-2,3-dihydroinden-5-yl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 166332272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).