N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide

C10H14ClN3O3 — CID 106689285

IUPACN-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide
SMILESCCC(C)(NC(=O)c1ccoc1Cl)/C(N)=N/O
InChIInChI=1S/C10H14ClN3O3/c1-3-10(2,9(12)14-16)13-8(15)6-4-5-17-7(6)11/h4-5,16H,3H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyIPSAVXJEHRPKQF-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.58
Rot. Bonds4

About N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide

N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide (PubChem CID 106689285) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide
PubChem CID106689285
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC NameN-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide
SMILESCCC(C)(NC(=O)c1ccoc1Cl)/C(N)=N/O
InChIInChI=1S/C10H14ClN3O3/c1-3-10(2,9(12)14-16)13-8(15)6-4-5-17-7(6)11/h4-5,16H,3H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyIPSAVXJEHRPKQF-UHFFFAOYSA-N
XLogP1.58
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.58
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-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106686516
2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid
CID 106683547
2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide
CID 106687245
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671954
N-(1-bromo-2-methylpropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106690034
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)quinoline-8-carboxamide
CID 76975271
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
CID 106688596
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-4-chloro-3-fluorobenzamide
CID 107992396
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940182
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1-methyltriazole-4-carboxamide
CID 112735696
3-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-1,1-dimethylurea
CID 79154540
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2,6-difluoro-3-methylbenzamide
CID 82815896

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide (CID 106689285) is N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide is CCC(C)(NC(=O)c1ccoc1Cl)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide?
The InChIKey is IPSAVXJEHRPKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-3-10(2,9(12)14-16)13-8(15)6-4-5-17-7(6)11/h4-5,16H,3H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide?
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide has a molecular weight of 259.69 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106689285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).