1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide

C11H14FN3O — CID 43123585

IUPAC1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccc(N)cc1F
InChIInChI=1S/C11H14FN3O/c12-8-6-7(13)3-4-9(8)15-5-1-2-10(15)11(14)16/h3-4,6,10H,1-2,5,13H2,(H2,14,16)
InChIKeyHBJIHVOOPKUDCZ-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.86
Rot. Bonds2

About 1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide

1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 43123585) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID43123585
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccc(N)cc1F
InChIInChI=1S/C11H14FN3O/c12-8-6-7(13)3-4-9(8)15-5-1-2-10(15)11(14)16/h3-4,6,10H,1-2,5,13H2,(H2,14,16)
InChIKeyHBJIHVOOPKUDCZ-UHFFFAOYSA-N
XLogP0.86
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide
CID 54985308
1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
CID 63371325
1-(5-amino-2-methylphenyl)piperidine-2-carboxamide
CID 55091464
1-(4-amino-2-fluorophenyl)piperidine-3-carboxamide
CID 43123574
1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide
CID 54985357
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
3-[4-(2-carbamoylpiperidin-1-yl)-3-fluorophenyl]prop-2-enoic acid
CID 76910209
1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 116735707
1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 82538014
4-(2,3-dimethylpiperidin-1-yl)-3-fluoroaniline
CID 62124073
1-(4-carbamothioyl-2,3-difluorophenyl)pyrrolidine-2-carboxamide
CID 107934486
1-(2-amino-4-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55215875

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide (CID 43123585) is 1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1ccc(N)cc1F.
What is the InChIKey of 1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is HBJIHVOOPKUDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-8-6-7(13)3-4-9(8)15-5-1-2-10(15)11(14)16/h3-4,6,10H,1-2,5,13H2,(H2,14,16).
What are the key properties of 1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide?
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43123585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).