N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide

C24H26F2N2O2 — CID 46978008

IUPACN-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide
SMILESCC(Cc1cn(C)c2ccc(F)cc12)NC(=O)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C24H26F2N2O2/c1-16(12-17-15-28(2)22-7-6-20(26)14-21(17)22)27-23(29)24(8-10-30-11-9-24)18-4-3-5-19(25)13-18/h3-7,13-16H,8-12H2,1-2H3,(H,27,29)
InChIKeyLPGDQPUVRGPOLY-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.25
Rot. Bonds5

About N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide

N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide (PubChem CID 46978008) has the molecular formula C24H26F2N2O2 and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide
PubChem CID46978008
Molecular FormulaC24H26F2N2O2
Molecular Weight412.48 g/mol
Exact Mass412.20
IUPAC NameN-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide
SMILESCC(Cc1cn(C)c2ccc(F)cc12)NC(=O)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C24H26F2N2O2/c1-16(12-17-15-28(2)22-7-6-20(26)14-21(17)22)27-23(29)24(8-10-30-11-9-24)18-4-3-5-19(25)13-18/h3-7,13-16H,8-12H2,1-2H3,(H,27,29)
InChIKeyLPGDQPUVRGPOLY-UHFFFAOYSA-N
XLogP4.25
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluorophenyl)-N-[(2R)-1-(5-methoxy-1-methylindol-3-yl)propan-2-yl]oxane-4-carboxamide
CID 92614108
2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide
CID 146094497
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide
CID 167819442
4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
CID 56807132
4-(3-fluorophenyl)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxane-4-carboxamide
CID 86969014
4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 110001666
4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide
CID 94669644
4-(3-fluorophenyl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 92614078
N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120507442
N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 92626130
N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide
CID 127266166
4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide
CID 51125642

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide?
The IUPAC name of N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide (CID 46978008) is N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide is CC(Cc1cn(C)c2ccc(F)cc12)NC(=O)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide?
The InChIKey is LPGDQPUVRGPOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O2/c1-16(12-17-15-28(2)22-7-6-20(26)14-21(17)22)27-23(29)24(8-10-30-11-9-24)18-4-3-5-19(25)13-18/h3-7,13-16H,8-12H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide?
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 46978008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).