N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide

C24H21FN2O2 — CID 175217591

IUPACN-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C24H21FN2O2/c1-16(26-23(28)17-7-10-21(25)11-8-17)19-9-12-22-20(15-19)13-14-27(22)24(29)18-5-3-2-4-6-18/h2-12,15-16H,13-14H2,1H3,(H,26,28)
InChIKeySLMGXJFZXFFOBE-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.52
Rot. Bonds4

About N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide

N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide (PubChem CID 175217591) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide
PubChem CID175217591
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC NameN-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1)c1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C24H21FN2O2/c1-16(26-23(28)17-7-10-21(25)11-8-17)19-9-12-22-20(15-19)13-14-27(22)24(29)18-5-3-2-4-6-18/h2-12,15-16H,13-14H2,1H3,(H,26,28)
InChIKeySLMGXJFZXFFOBE-UHFFFAOYSA-N
XLogP4.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide
CID 159659623
4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide;2,2,2-trifluoroacetate
CID 159659622
N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 132664986
1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 24532068
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
1-(4-fluorobenzoyl)-N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148983
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 55577789
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 53279578
N-(1-benzoyl-2,3-dihydroindol-5-yl)-2-ethyl-4-fluorobenzamide
CID 175211818
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
3H-benzimidazol-5-yl-(5-fluoro-2,3-dihydroindol-1-yl)methanone
CID 110742263

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide (CID 175217591) is N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1)c1ccc2c(c1)CCN2C(=O)c1ccccc1.
What is the InChIKey of N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide?
The InChIKey is SLMGXJFZXFFOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-16(26-23(28)17-7-10-21(25)11-8-17)19-9-12-22-20(15-19)13-14-27(22)24(29)18-5-3-2-4-6-18/h2-12,15-16H,13-14H2,1H3,(H,26,28).
What are the key properties of N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide?
N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide has a molecular weight of 388.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 175217591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).