1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide

C20H26FN3O3 — CID 46684406

IUPAC1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCCCCC1=O)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C20H26FN3O3/c21-16-7-3-4-8-17(16)24-14-15(13-19(24)26)20(27)22-10-6-12-23-11-5-1-2-9-18(23)25/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,22,27)
InChIKeyPKARBQLMKVLOEY-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.09
Rot. Bonds6

About 1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide

1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide (PubChem CID 46684406) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide
PubChem CID46684406
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCN1CCCCCC1=O)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C20H26FN3O3/c21-16-7-3-4-8-17(16)24-14-15(13-19(24)26)20(27)22-10-6-12-23-11-5-1-2-9-18(23)25/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,22,27)
InChIKeyPKARBQLMKVLOEY-UHFFFAOYSA-N
XLogP2.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 43066133
1-(2-ethylphenyl)-5-oxo-N-[2-(2-oxoazepan-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 55688415
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46684610
(3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide
CID 52533833
1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 47006883
tert-butyl N-[2-[[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 39351871
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 43006162
(3R)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 30892212
(3S)-N-[2-(4-fluorophenoxy)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 37362337
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237470
2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 86917440
1-(2-fluorophenyl)sulfonyl-N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-4-carboxamide
CID 39512997

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide (CID 46684406) is 1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide is O=C(NCCCN1CCCCCC1=O)C1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide?
The InChIKey is PKARBQLMKVLOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c21-16-7-3-4-8-17(16)24-14-15(13-19(24)26)20(27)22-10-6-12-23-11-5-1-2-9-18(23)25/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,22,27).
What are the key properties of 1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46684406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).