N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide

C12H16ClN3O3 — CID 76937630

IUPACN-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide
SMILESCCC(NC(=O)COc1cccc(Cl)c1)C(N)=NO
InChIInChI=1S/C12H16ClN3O3/c1-2-10(12(14)16-18)15-11(17)7-19-9-5-3-4-8(13)6-9/h3-6,10,18H,2,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyUXFLZNOWHVQODW-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.36
Rot. Bonds6

About N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide

N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide (PubChem CID 76937630) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide
PubChem CID76937630
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC NameN-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide
SMILESCCC(NC(=O)COc1cccc(Cl)c1)C(N)=NO
InChIInChI=1S/C12H16ClN3O3/c1-2-10(12(14)16-18)15-11(17)7-19-9-5-3-4-8(13)6-9/h3-6,10,18H,2,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyUXFLZNOWHVQODW-UHFFFAOYSA-N
XLogP1.36
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-chlorophenoxy)acetamide
CID 76947849
N-[(2R)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)acetamide
CID 104872802
2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide
CID 64996994
(2S)-2-[[2-(3-chlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822042
(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80750925
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
2-(3-chlorophenoxy)-N-ethoxyacetamide
CID 60700548
(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 104906016
N-(1-chloro-3-methylbutan-2-yl)-2-(3-chlorophenoxy)acetamide
CID 113273495
(2S,3R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964349
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3-chloroanilino)-N'-hydroxybutanimidamide
CID 77026492

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide (CID 76937630) is N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide is CCC(NC(=O)COc1cccc(Cl)c1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide?
The InChIKey is UXFLZNOWHVQODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-2-10(12(14)16-18)15-11(17)7-19-9-5-3-4-8(13)6-9/h3-6,10,18H,2,7H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide?
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide has a molecular weight of 285.73 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 76937630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).