N-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide

C17H25FN4O2 — CID 71850768

IUPACN-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)NCCCc2cccc(F)c2)C1
InChIInChI=1S/C17H25FN4O2/c1-2-19-17(24)22-10-8-15(12-22)21-16(23)20-9-4-6-13-5-3-7-14(18)11-13/h3,5,7,11,15H,2,4,6,8-10,12H2,1H3,(H,19,24)(H2,20,21,23)
InChIKeyPPIIEDWXFLVZIT-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.86
Rot. Bonds6

About N-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide

N-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide (PubChem CID 71850768) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide
PubChem CID71850768
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC NameN-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)NCCCc2cccc(F)c2)C1
InChIInChI=1S/C17H25FN4O2/c1-2-19-17(24)22-10-8-15(12-22)21-16(23)20-9-4-6-13-5-3-7-14(18)11-13/h3,5,7,11,15H,2,4,6,8-10,12H2,1H3,(H,19,24)(H2,20,21,23)
InChIKeyPPIIEDWXFLVZIT-UHFFFAOYSA-N
XLogP1.86
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide (CID 71850768) is N-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)NCCCc2cccc(F)c2)C1.
What is the InChIKey of N-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide?
The InChIKey is PPIIEDWXFLVZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-2-19-17(24)22-10-8-15(12-22)21-16(23)20-9-4-6-13-5-3-7-14(18)11-13/h3,5,7,11,15H,2,4,6,8-10,12H2,1H3,(H,19,24)(H2,20,21,23).
What are the key properties of N-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide?
N-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(3-fluorophenyl)propylcarbamoylamino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71850768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).