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

C13H19FN2O2 — CID 79248992

IUPACN-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
SMILESCC(C)C(CO)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-9(2)12(8-17)15-7-13(18)16-11-6-4-3-5-10(11)14/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyAHFMAYFQZMQAOM-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.37
Rot. Bonds6

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

N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide (PubChem CID 79248992) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
PubChem CID79248992
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
SMILESCC(C)C(CO)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-9(2)12(8-17)15-7-13(18)16-11-6-4-3-5-10(11)14/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyAHFMAYFQZMQAOM-UHFFFAOYSA-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

(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83194252
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide
CID 86786954
N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 79250136
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide
CID 61464633
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
2-(2-fluoroanilino)-3-methylbutan-1-ol
CID 61317704
2-(2,6-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 54818107
2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695769
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide
CID 81390056
2-[2-(dimethylamino)anilino]-N-(2-fluorophenyl)acetamide
CID 106759760
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide (CID 79248992) is N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide is CC(C)C(CO)NCC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide?
The InChIKey is AHFMAYFQZMQAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)12(8-17)15-7-13(18)16-11-6-4-3-5-10(11)14/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide?
N-(2-fluorophenyl)-2-[(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-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide is sourced from PubChem (CID 79248992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).