1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide

C12H16FN3O — CID 113295375

IUPAC1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
SMILESNCc1ccc(N2CCCC2C(N)=O)cc1F
InChIInChI=1S/C12H16FN3O/c13-10-6-9(4-3-8(10)7-14)16-5-1-2-11(16)12(15)17/h3-4,6,11H,1-2,5,7,14H2,(H2,15,17)
InChIKeyBWJWCIPGFDSCAD-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.74
Rot. Bonds3

About 1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide

1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide (PubChem CID 113295375) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
PubChem CID113295375
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
SMILESNCc1ccc(N2CCCC2C(N)=O)cc1F
InChIInChI=1S/C12H16FN3O/c13-10-6-9(4-3-8(10)7-14)16-5-1-2-11(16)12(15)17/h3-4,6,11H,1-2,5,7,14H2,(H2,15,17)
InChIKeyBWJWCIPGFDSCAD-UHFFFAOYSA-N
XLogP0.74
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluoro-3-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 86258443
(2S)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 70876168
1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
CID 55039017
1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide
CID 62493299
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-2-yl]propan-2-ol
CID 112747815
1-[3-methyl-4-(methylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 62135010
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine
CID 115366675
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide
CID 114016618
1-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15157503
1-(2-carbamothioyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 55156459
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide (CID 113295375) is 1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide is NCc1ccc(N2CCCC2C(N)=O)cc1F.
What is the InChIKey of 1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide?
The InChIKey is BWJWCIPGFDSCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-10-6-9(4-3-8(10)7-14)16-5-1-2-11(16)12(15)17/h3-4,6,11H,1-2,5,7,14H2,(H2,15,17).
What are the key properties of 1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide?
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 113295375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).