N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide

C23H23FN2O3 — CID 110303950

IUPACN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2
InChIInChI=1S/C23H23FN2O3/c24-18-9-6-16(7-10-18)21(27)2-1-3-22(28)25-19-11-8-15-12-13-26(20(15)14-19)23(29)17-4-5-17/h6-11,14,17H,1-5,12-13H2,(H,25,28)
InChIKeyYGJMMXLQFXVCAI-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.12
Rot. Bonds7

About N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide (PubChem CID 110303950) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide
PubChem CID110303950
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2
InChIInChI=1S/C23H23FN2O3/c24-18-9-6-16(7-10-18)21(27)2-1-3-22(28)25-19-11-8-15-12-13-26(20(15)14-19)23(29)17-4-5-17/h6-11,14,17H,1-5,12-13H2,(H,25,28)
InChIKeyYGJMMXLQFXVCAI-UHFFFAOYSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623518
3-acetamido-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110353642
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
CID 110623188
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
CID 110623335
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide
CID 110312996
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(2-fluorophenoxy)acetamide
CID 7517256
ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate
CID 112506230
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110615340
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea
CID 110303954
5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 46505043
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-thiophen-3-ylbenzamide
CID 91624467
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 24803231

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide (CID 110303950) is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide is O=C(CCCC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide?
The InChIKey is YGJMMXLQFXVCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-18-9-6-16(7-10-18)21(27)2-1-3-22(28)25-19-11-8-15-12-13-26(20(15)14-19)23(29)17-4-5-17/h6-11,14,17H,1-5,12-13H2,(H,25,28).
What are the key properties of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide?
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide has a molecular weight of 394.45 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide is sourced from PubChem (CID 110303950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).