N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide

C21H21FN2O3 — CID 110615340

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C21H21FN2O3/c22-17-10-8-16(9-11-17)19(25)6-3-7-20(26)23-14-21(27)24-13-12-15-4-1-2-5-18(15)24/h1-2,4-5,8-11H,3,6-7,12-14H2,(H,23,26)
InChIKeyQUJXDNDMDUSLAL-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide (PubChem CID 110615340) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide
PubChem CID110615340
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C21H21FN2O3/c22-17-10-8-16(9-11-17)19(25)6-3-7-20(26)23-14-21(27)24-13-12-15-4-1-2-5-18(15)24/h1-2,4-5,8-11H,3,6-7,12-14H2,(H,23,26)
InChIKeyQUJXDNDMDUSLAL-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]butanamide;hydrochloride
CID 119315166
7-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]heptanamide
CID 119769035
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(4-fluorophenyl)butanamide
CID 110619443
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110606137
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide
CID 110606116
N-[2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110673378
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 120562063
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide
CID 119747288
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 29406171
7-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]heptanamide;hydrochloride
CID 119747287
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide (CID 110615340) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide is O=C(CCCC(=O)c1ccc(F)cc1)NCC(=O)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
The InChIKey is QUJXDNDMDUSLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c22-17-10-8-16(9-11-17)19(25)6-3-7-20(26)23-14-21(27)24-13-12-15-4-1-2-5-18(15)24/h1-2,4-5,8-11H,3,6-7,12-14H2,(H,23,26).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide has a molecular weight of 368.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide is sourced from PubChem (CID 110615340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).