2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide

C17H21FN2O2 — CID 86917440

IUPAC2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CC1c1ccccc1F
InChIInChI=1S/C17H21FN2O2/c18-15-6-2-1-5-12(15)13-11-14(13)17(22)19-8-4-10-20-9-3-7-16(20)21/h1-2,5-6,13-14H,3-4,7-11H2,(H,19,22)
InChIKeyZFLTZRJEQOQRIY-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.06
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide

2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 86917440) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
PubChem CID86917440
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
SMILESO=C(NCCCN1CCCC1=O)C1CC1c1ccccc1F
InChIInChI=1S/C17H21FN2O2/c18-15-6-2-1-5-12(15)13-11-14(13)17(22)19-8-4-10-20-9-3-7-16(20)21/h1-2,5-6,13-14H,3-4,7-11H2,(H,19,22)
InChIKeyZFLTZRJEQOQRIY-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide
CID 78854955
2-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 78831616
1-(2-fluorophenyl)-5-oxo-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 46684406
cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42546160
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111147007
(1S)-2-benzyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-dihydroisoquinoline-1-carboxamide
CID 95096455
2-nitro-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 78886266
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
1-(2-bromophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 43066133
(1R,2R,3R,4R)-3-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124724800

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide (CID 86917440) is 2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide is O=C(NCCCN1CCCC1=O)C1CC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is ZFLTZRJEQOQRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-15-6-2-1-5-12(15)13-11-14(13)17(22)19-8-4-10-20-9-3-7-16(20)21/h1-2,5-6,13-14H,3-4,7-11H2,(H,19,22).
What are the key properties of 2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide?
2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 304.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86917440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).