3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide

C11H14FN3O — CID 62068743

IUPAC3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESNC1CCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FN3O/c12-8-1-3-10(4-2-8)14-11(16)15-6-5-9(13)7-15/h1-4,9H,5-7,13H2,(H,14,16)
InChIKeyYMPVRWGDQOLTLV-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.39
Rot. Bonds1

About 3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide

3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 62068743) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID62068743
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESNC1CCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C11H14FN3O/c12-8-1-3-10(4-2-8)14-11(16)15-6-5-9(13)7-15/h1-4,9H,5-7,13H2,(H,14,16)
InChIKeyYMPVRWGDQOLTLV-UHFFFAOYSA-N
XLogP1.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
CID 113282408
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187
3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 63766361
4-amino-N-(4-fluorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 68909816
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 97354940
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide (CID 62068743) is 3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide is NC1CCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is YMPVRWGDQOLTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-8-1-3-10(4-2-8)14-11(16)15-6-5-9(13)7-15/h1-4,9H,5-7,13H2,(H,14,16).
What are the key properties of 3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide?
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 62068743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).