2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide

C12H16FN3O3 — CID 82979371

IUPAC2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide
SMILESCC(c1ccc(F)cc1O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H16FN3O3/c1-7(9-3-2-8(13)4-10(9)17)16(5-11(14)18)6-12(15)19/h2-4,7,17H,5-6H2,1H3,(H2,14,18)(H2,15,19)
InChIKeyXOSSDCBTQRNASH-UHFFFAOYSA-N
MW269.28 g/mol
LogP-0.14
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide

2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide (PubChem CID 82979371) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide
PubChem CID82979371
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide
SMILESCC(c1ccc(F)cc1O)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H16FN3O3/c1-7(9-3-2-8(13)4-10(9)17)16(5-11(14)18)6-12(15)19/h2-4,7,17H,5-6H2,1H3,(H2,14,18)(H2,15,19)
InChIKeyXOSSDCBTQRNASH-UHFFFAOYSA-N
XLogP-0.14
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-fluoro-2-hydroxyphenyl)ethyl-methylamino]acetamide
CID 82977734
2-[1-(dibutylamino)ethyl]-5-fluorophenol
CID 82974153
2-[1-[bis(3-methylbutyl)amino]ethyl]-5-fluorophenol
CID 107871890
2-[1-[butan-2-yl(methyl)amino]ethyl]-5-fluorophenol
CID 82977411
3-[1-(4-fluoro-2-hydroxyphenyl)ethyl-propan-2-ylamino]propanoic acid
CID 65058577
methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate
CID 57447177
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62922758
N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide
CID 113222881
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117280331
2-(2-aminopropyl)-5-fluorophenol
CID 83695312

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide (CID 82979371) is 2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide is CC(c1ccc(F)cc1O)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide?
The InChIKey is XOSSDCBTQRNASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-7(9-3-2-8(13)4-10(9)17)16(5-11(14)18)6-12(15)19/h2-4,7,17H,5-6H2,1H3,(H2,14,18)(H2,15,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide?
2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide has a molecular weight of 269.28 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[1-(4-fluoro-2-hydroxyphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 82979371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).