N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide

C25H21FN2O4 — CID 18206710

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)COc3ccc(C(=O)c4ccc(F)cc4)cc3)ccc21
InChIInChI=1S/C25H21FN2O4/c1-16(29)28-13-12-19-14-21(8-11-23(19)28)27-24(30)15-32-22-9-4-18(5-10-22)25(31)17-2-6-20(26)7-3-17/h2-11,14H,12-13,15H2,1H3,(H,27,30)
InChIKeyBCRWAZCYWLVFDD-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.98
Rot. Bonds6

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide (PubChem CID 18206710) has the molecular formula C25H21FN2O4 and a molecular weight of 432.45 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
PubChem CID18206710
Molecular FormulaC25H21FN2O4
Molecular Weight432.45 g/mol
Exact Mass432.15
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)COc3ccc(C(=O)c4ccc(F)cc4)cc3)ccc21
InChIInChI=1S/C25H21FN2O4/c1-16(29)28-13-12-19-14-21(8-11-23(19)28)27-24(30)15-32-22-9-4-18(5-10-22)25(31)17-2-6-20(26)7-3-17/h2-11,14H,12-13,15H2,1H3,(H,27,30)
InChIKeyBCRWAZCYWLVFDD-UHFFFAOYSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 7656394
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-fluorophenoxy)acetamide
CID 16942902
N-(1-ethyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenoxy)acetamide
CID 166188945
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide
CID 42423988
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637691
N-(1-benzoyl-2,3-dihydroindol-5-yl)-2-phenoxyacetamide
CID 112506133
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide
CID 34184863
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide
CID 39628262
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate
CID 24501202
tert-butyl 7-[[2-(4-fluorophenoxy)acetyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166201712

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide (CID 18206710) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide is CC(=O)N1CCc2cc(NC(=O)COc3ccc(C(=O)c4ccc(F)cc4)cc3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The InChIKey is BCRWAZCYWLVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4/c1-16(29)28-13-12-19-14-21(8-11-23(19)28)27-24(30)15-32-22-9-4-18(5-10-22)25(31)17-2-6-20(26)7-3-17/h2-11,14H,12-13,15H2,1H3,(H,27,30).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide has a molecular weight of 432.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide is sourced from PubChem (CID 18206710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).