2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide

C13H19FN2O2 — CID 119301156

IUPAC2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-2-3-12(15)13(18)16-7-9-4-5-10(8-17)11(14)6-9/h4-6,12,17H,2-3,7-8,15H2,1H3,(H,16,18)
InChIKeyQCTIQLVUGCDSJG-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.06
Rot. Bonds6

About 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide

2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide (PubChem CID 119301156) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide
PubChem CID119301156
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-2-3-12(15)13(18)16-7-9-4-5-10(8-17)11(14)6-9/h4-6,12,17H,2-3,7-8,15H2,1H3,(H,16,18)
InChIKeyQCTIQLVUGCDSJG-UHFFFAOYSA-N
XLogP1.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpent-4-enamide
CID 394809
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide
CID 22769472
N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-N'-(1-phenylethyl)ethanediamide
CID 56765501
N-Isopropyl-4-hydroxymethylbenzamide
CID 152129
N-cyclohexyl-4-(hydroxymethyl)-benzamide
CID 18363081
N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide
CID 164889255
(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(prop-2-enylamino)pent-4-enamide
CID 51003256
N-[hydroxy(phenyl)methyl]acetamide
CID 18363668
N-[[4-(ethoxymethyl)phenyl]methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 56795451
N1-(4-fluorobenzyl)-N2-(3-hydroxy-3-phenylpropyl)oxalamide
CID 71782302
2-(2,5-dimethylpyrrolidin-1-yl)-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]propanamide
CID 71910884

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide (CID 119301156) is 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide is CCCC(N)C(=O)NCc1ccc(CO)c(F)c1.
What is the InChIKey of 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide?
The InChIKey is QCTIQLVUGCDSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-2-3-12(15)13(18)16-7-9-4-5-10(8-17)11(14)6-9/h4-6,12,17H,2-3,7-8,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide?
2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide has a molecular weight of 254.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 119301156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).