N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide

C13H18FN3O2 — CID 77044509

IUPACN-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CC(N)=NO)C(=O)Cc1ccccc1F
InChIInChI=1S/C13H18FN3O2/c1-9(2)17(8-12(15)16-19)13(18)7-10-5-3-4-6-11(10)14/h3-6,9,19H,7-8H2,1-2H3,(H2,15,16)
InChIKeyWJHJFFXLOZLLFN-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.35
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide

N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide (PubChem CID 77044509) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
PubChem CID77044509
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CC(N)=NO)C(=O)Cc1ccccc1F
InChIInChI=1S/C13H18FN3O2/c1-9(2)17(8-12(15)16-19)13(18)7-10-5-3-4-6-11(10)14/h3-6,9,19H,7-8H2,1-2H3,(H2,15,16)
InChIKeyWJHJFFXLOZLLFN-UHFFFAOYSA-N
XLogP1.35
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 77044659
N-(2-chloroethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55185523
N-(3-chloropropyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 55183329
4-[[2-(2-fluorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60830925
2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76873732
N-(2-amino-2-hydroxyiminoethyl)-4-fluoro-N-propan-2-ylbenzamide
CID 77044558
2-[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]benzoic acid
CID 104601355
N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide
CID 77056038
N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
CID 76911443
N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide
CID 77044875
N-butan-2-yl-N-butyl-2-(2-fluorophenyl)acetamide
CID 78805640
(2S)-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100633860

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide (CID 77044509) is N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide is CC(C)N(CC(N)=NO)C(=O)Cc1ccccc1F.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide?
The InChIKey is WJHJFFXLOZLLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9(2)17(8-12(15)16-19)13(18)7-10-5-3-4-6-11(10)14/h3-6,9,19H,7-8H2,1-2H3,(H2,15,16).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide?
N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide has a molecular weight of 267.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 77044509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).