3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide

C13H18FN3O — CID 114802239

IUPAC3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESNCCC1CCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN3O/c14-11-1-3-12(4-2-11)16-13(18)17-8-6-10(9-17)5-7-15/h1-4,10H,5-9,15H2,(H,16,18)
InChIKeyITNXYYHRSOMFPB-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.03
Rot. Bonds3

About 3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide

3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 114802239) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID114802239
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESNCCC1CCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN3O/c14-11-1-3-12(4-2-11)16-13(18)17-8-6-10(9-17)5-7-15/h1-4,10H,5-9,15H2,(H,16,18)
InChIKeyITNXYYHRSOMFPB-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 63766361
3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 114802216
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 46366168
4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823381
4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823379
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187
3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 53138057
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide (CID 114802239) is 3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide is NCCC1CCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is ITNXYYHRSOMFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-11-1-3-12(4-2-11)16-13(18)17-8-6-10(9-17)5-7-15/h1-4,10H,5-9,15H2,(H,16,18).
What are the key properties of 3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 114802239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).