1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide

C12H15FN2O — CID 175878823

IUPAC1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C12H15FN2O/c13-11-3-1-2-9(6-11)7-15-5-4-10(8-15)12(14)16/h1-3,6,10H,4-5,7-8H2,(H2,14,16)
InChIKeyRDGQDWVEKMQRKI-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.13
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide

1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 175878823) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID175878823
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C12H15FN2O/c13-11-3-1-2-9(6-11)7-15-5-4-10(8-15)12(14)16/h1-3,6,10H,4-5,7-8H2,(H2,14,16)
InChIKeyRDGQDWVEKMQRKI-UHFFFAOYSA-N
XLogP1.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904104
1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530730
1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349333
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
1-[[3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 167825637
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
methyl 4-[(3-carbamoylpyrrolidin-1-yl)methyl]-2-fluorobenzoate
CID 103749383
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
1-[(3-bromo-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 126842156
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119611972

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide (CID 175878823) is 1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide is NC(=O)C1CCN(Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is RDGQDWVEKMQRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-11-3-1-2-9(6-11)7-15-5-4-10(8-15)12(14)16/h1-3,6,10H,4-5,7-8H2,(H2,14,16).
What are the key properties of 1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 175878823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).