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

C25H27F2N3O3 — CID 154849963

IUPACN-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(Cc1cn(C)c2ccc(F)cc12)NC(=O)C1CC(O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C25H27F2N3O3/c1-15(9-17-13-29(2)22-8-7-18(26)11-20(17)22)28-25(33)23-12-19(31)14-30(23)24(32)10-16-5-3-4-6-21(16)27/h3-8,11,13,15,19,23,31H,9-10,12,14H2,1-2H3,(H,28,33)
InChIKeyHUPMURXRPCZFHK-UHFFFAOYSA-N
MW455.51 g/mol
LogP2.71
Rot. Bonds6

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

N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 154849963) has the molecular formula C25H27F2N3O3 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID154849963
Molecular FormulaC25H27F2N3O3
Molecular Weight455.51 g/mol
Exact Mass455.20
IUPAC NameN-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(Cc1cn(C)c2ccc(F)cc12)NC(=O)C1CC(O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C25H27F2N3O3/c1-15(9-17-13-29(2)22-8-7-18(26)11-20(17)22)28-25(33)23-12-19(31)14-30(23)24(32)10-16-5-3-4-6-21(16)27/h3-8,11,13,15,19,23,31H,9-10,12,14H2,1-2H3,(H,28,33)
InChIKeyHUPMURXRPCZFHK-UHFFFAOYSA-N
XLogP2.71
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 154849915
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 66052196
N-(1-benzyl-5-methylpyrrolidin-3-yl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
CID 154849933
cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
CID 124831984
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-4-fluoro-1-[2-(1-methylindol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 165138406
1-[2-(2-fluorophenyl)acetyl]-4-hydroxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 154849911
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
CID 154845321
(4-methoxycarbonylphenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
CID 55728411
N-[[3-(3,4-dimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
CID 154849949
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide (CID 154849963) is N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide is CC(Cc1cn(C)c2ccc(F)cc12)NC(=O)C1CC(O)CN1C(=O)Cc1ccccc1F.
What is the InChIKey of N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is HUPMURXRPCZFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O3/c1-15(9-17-13-29(2)22-8-7-18(26)11-20(17)22)28-25(33)23-12-19(31)14-30(23)24(32)10-16-5-3-4-6-21(16)27/h3-8,11,13,15,19,23,31H,9-10,12,14H2,1-2H3,(H,28,33).
What are the key properties of N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 154849963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).