N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide

C9H12ClN3O3 — CID 106689304

IUPACN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide
SMILESCC(/C(N)=N/O)N(C)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H12ClN3O3/c1-5(8(11)12-15)13(2)9(14)6-3-4-7(10)16-6/h3-5,15H,1-2H3,(H2,11,12)
InChIKeyMUOXIGMGDLDZIY-UHFFFAOYSA-N
MW245.67 g/mol
LogP1.14
Rot. Bonds3

About N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide

N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide (PubChem CID 106689304) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide
PubChem CID106689304
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide
SMILESCC(/C(N)=N/O)N(C)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H12ClN3O3/c1-5(8(11)12-15)13(2)9(14)6-3-4-7(10)16-6/h3-5,15H,1-2H3,(H2,11,12)
InChIKeyMUOXIGMGDLDZIY-UHFFFAOYSA-N
XLogP1.14
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 51.14
H-Bond Donors ≤ 52
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-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2,5-dibromo-N-methylbenzamide
CID 114375237
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide
CID 106689262
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide
CID 76928325
3-[(5-chlorofuran-2-carbonyl)-methylamino]butanoic acid
CID 110836895
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethylbenzamide
CID 76928136
5-chloro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913499
5-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 113219634
5-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 54913059
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,3-dimethylfuran-2-carboxamide
CID 76928329
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,3-dimethylthiophene-2-carboxamide
CID 76928249
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,6-dimethoxy-N-methylbenzamide
CID 76928224
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 76928227

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide (CID 106689304) is N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide is CC(/C(N)=N/O)N(C)C(=O)c1ccc(Cl)o1.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide?
The InChIKey is MUOXIGMGDLDZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c1-5(8(11)12-15)13(2)9(14)6-3-4-7(10)16-6/h3-5,15H,1-2H3,(H2,11,12).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide?
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide has a molecular weight of 245.67 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chloro-N-methylfuran-2-carboxamide is sourced from PubChem (CID 106689304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).