N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C13H17FN2O2 — CID 110012377

IUPACN-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)c(CO)c1)C1CCCN1
InChIInChI=1S/C13H17FN2O2/c14-11-4-3-9(6-10(11)8-17)7-16-13(18)12-2-1-5-15-12/h3-4,6,12,15,17H,1-2,5,7-8H2,(H,16,18)
InChIKeyQLNUPGUKTKNJBQ-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.69
Rot. Bonds4

About N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide

N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 110012377) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID110012377
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(F)c(CO)c1)C1CCCN1
InChIInChI=1S/C13H17FN2O2/c14-11-4-3-9(6-10(11)8-17)7-16-13(18)12-2-1-5-15-12/h3-4,6,12,15,17H,1-2,5,7-8H2,(H,16,18)
InChIKeyQLNUPGUKTKNJBQ-UHFFFAOYSA-N
XLogP0.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]azepane-2-carboxamide
CID 64568354
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
CID 93057625
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide
CID 103812920
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 110012377) is N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(F)c(CO)c1)C1CCCN1.
What is the InChIKey of N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is QLNUPGUKTKNJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-4-3-9(6-10(11)8-17)7-16-13(18)12-2-1-5-15-12/h3-4,6,12,15,17H,1-2,5,7-8H2,(H,16,18).
What are the key properties of N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110012377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).