4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide

C24H22FN3O2 — CID 149220736

IUPAC4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cccnc4)cc3)c(F)cc21
InChIInChI=1S/C24H22FN3O2/c1-2-23(29)28-11-9-19-12-20(21(25)13-22(19)28)17-5-7-18(8-6-17)24(30)27-15-16-4-3-10-26-14-16/h3-8,10,12-14H,2,9,11,15H2,1H3,(H,27,30)
InChIKeyXIJZIFGCDNXCCN-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.12
Rot. Bonds5

About 4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide

4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 149220736) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID149220736
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cccnc4)cc3)c(F)cc21
InChIInChI=1S/C24H22FN3O2/c1-2-23(29)28-11-9-19-12-20(21(25)13-22(19)28)17-5-7-18(8-6-17)24(30)27-15-16-4-3-10-26-14-16/h3-8,10,12-14H,2,9,11,15H2,1H3,(H,27,30)
InChIKeyXIJZIFGCDNXCCN-UHFFFAOYSA-N
XLogP4.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360647
4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360604
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360984
3-fluoro-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoic acid;1-[3-fluoro-4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-3-ylpropan-1-one;methane;pyridin-3-ylmethanamine
CID 167672398
1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide
CID 52986188
N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360745
4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360723
1-propanoyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55788815
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 147449748
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 149220736) is 4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide is CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4cccnc4)cc3)c(F)cc21.
What is the InChIKey of 4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is XIJZIFGCDNXCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-2-23(29)28-11-9-19-12-20(21(25)13-22(19)28)17-5-7-18(8-6-17)24(30)27-15-16-4-3-10-26-14-16/h3-8,10,12-14H,2,9,11,15H2,1H3,(H,27,30).
What are the key properties of 4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide?
4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 403.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 149220736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).