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

C13H17FN2O2 — CID 119301152

IUPACN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(CO)c(F)c1)C1CCCN1
InChIInChI=1S/C13H17FN2O2/c14-11-6-9(3-4-10(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)
InChIKeyDCVJFIVDKRMAEM-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.69
Rot. Bonds4

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

N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119301152) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID119301152
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(CO)c(F)c1)C1CCCN1
InChIInChI=1S/C13H17FN2O2/c14-11-6-9(3-4-10(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)
InChIKeyDCVJFIVDKRMAEM-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

(2S)-2-[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-[4-(hydroxymethyl)phenyl]propanoic acid
CID 44376320
(2S)-N-[(1S,2S)-2-Hydroxy-1,2-diphenylethyl]-2-pyrrolidinecarboxamide
CID 11243841
(2R)-N-((1R,2R)-2-Hydroxy-1,2-diphenylethyl)-2-pyrrolidinecarboxamide
CID 57356873
(2S)-N-(2-hydroxy-1,2-diphenylethyl)pyrrolidine-2-carboxamide
CID 117803737
2-(2,5-dimethylpyrrolidin-1-yl)-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]propanamide
CID 71910884
Cathine TPC derivative
CID 14818657
N-[(1S,2S)-1-Hydroxy-1-phenylpropan-2-yl]-1-(trifluoroacetyl)prolinamide
CID 165362024
(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]amino]pentanamide
CID 10173492
(2R,3S)-2-(benzylamino)-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 44183389
2-(Benzylamino)-3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 57955457
trans-(1R,2R)-N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 59111327
N-[(1R,2R)-1-(3-fluoro-4-methylphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide
CID 59530809

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 119301152) is N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1ccc(CO)c(F)c1)C1CCCN1.
What is the InChIKey of N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is DCVJFIVDKRMAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-6-9(3-4-10(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-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
N-[[3-fluoro-4-(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-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119301152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).