N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide

C22H22FN3O2 — CID 126778104

IUPACN-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC1CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C22H22FN3O2/c23-17-8-5-15(6-9-17)14-26-12-11-20(22(26)28)25-21(27)10-7-16-13-24-19-4-2-1-3-18(16)19/h1-6,8-9,13,20,24H,7,10-12,14H2,(H,25,27)
InChIKeyAHJKUQJCJXZBAT-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.16
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide

N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 126778104) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID126778104
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC1CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C22H22FN3O2/c23-17-8-5-15(6-9-17)14-26-12-11-20(22(26)28)25-21(27)10-7-16-13-24-19-4-2-1-3-18(16)19/h1-6,8-9,13,20,24H,7,10-12,14H2,(H,25,27)
InChIKeyAHJKUQJCJXZBAT-UHFFFAOYSA-N
XLogP3.16
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 119048382
N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 124734504
2-(3,4-difluorophenyl)-N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 124852787
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
CID 91765115
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 126788506
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
CID 43420888

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide (CID 126778104) is N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NC1CCN(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is AHJKUQJCJXZBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-17-8-5-15(6-9-17)14-26-12-11-20(22(26)28)25-21(27)10-7-16-13-24-19-4-2-1-3-18(16)19/h1-6,8-9,13,20,24H,7,10-12,14H2,(H,25,27).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide?
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 379.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 126778104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).