N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide

C13H19FN2O3 — CID 106159602

IUPACN-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
SMILESCOCC(CCO)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3/c1-19-9-12(6-7-17)15-8-13(18)16-11-4-2-10(14)3-5-11/h2-5,12,15,17H,6-9H2,1H3,(H,16,18)
InChIKeyXWBMAKXLOZVROG-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.75
Rot. Bonds8

About N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide

N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide (PubChem CID 106159602) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
PubChem CID106159602
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC NameN-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
SMILESCOCC(CCO)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O3/c1-19-9-12(6-7-17)15-8-13(18)16-11-4-2-10(14)3-5-11/h2-5,12,15,17H,6-9H2,1H3,(H,16,18)
InChIKeyXWBMAKXLOZVROG-UHFFFAOYSA-N
XLogP0.75
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159836
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
CID 43179600
N-(2,6-dichlorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159615
3-(4-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799465
N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 79250136
3-(4-fluorophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799162
N-tert-butyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide
CID 106159964
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 106159877
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
1-(4-chlorophenyl)-3-(4-hydroxy-1-methoxybutan-2-yl)urea
CID 113240168

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide (CID 106159602) is N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide is COCC(CCO)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide?
The InChIKey is XWBMAKXLOZVROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-19-9-12(6-7-17)15-8-13(18)16-11-4-2-10(14)3-5-11/h2-5,12,15,17H,6-9H2,1H3,(H,16,18).
What are the key properties of N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide?
N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide has a molecular weight of 270.30 g/mol, XLogP of 0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetamide is sourced from PubChem (CID 106159602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).