N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide

C13H19FN2O2 — CID 79250136

IUPACN-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
SMILESCC(C)[C@@H](CO)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c1-9(2)12(8-17)15-7-13(18)16-11-5-3-10(14)4-6-11/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyHLNJNBZDJWSLQU-GFCCVEGCSA-N
MW254.30 g/mol
LogP1.37
Rot. Bonds6

About N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide

N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide (PubChem CID 79250136) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
PubChem CID79250136
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
SMILESCC(C)[C@@H](CO)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c1-9(2)12(8-17)15-7-13(18)16-11-5-3-10(14)4-6-11/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyHLNJNBZDJWSLQU-GFCCVEGCSA-N
XLogP1.37
TPSA61.36 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 ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954667
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 104696173
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431
N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79248992
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
CID 43179600
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide
CID 83143170
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79237253
N-(4-fluorophenyl)-2-(2-hydroxypropylamino)acetamide
CID 43389711
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide (CID 79250136) is N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide is CC(C)[C@@H](CO)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide?
The InChIKey is HLNJNBZDJWSLQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)12(8-17)15-7-13(18)16-11-5-3-10(14)4-6-11/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide?
N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide has a molecular weight of 254.30 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide is sourced from PubChem (CID 79250136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).