4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide

C13H20ClN3O2 — CID 77062149

IUPAC4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCOc1ccc(Cl)c(NCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C13H20ClN3O2/c1-13(2,12(15)17-18)6-7-16-11-8-9(19-3)4-5-10(11)14/h4-5,8,16,18H,6-7H2,1-3H3,(H2,15,17)
InChIKeyJLXBZTHETNFQLM-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.92
Rot. Bonds6

About 4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062149) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062149
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCOc1ccc(Cl)c(NCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C13H20ClN3O2/c1-13(2,12(15)17-18)6-7-16-11-8-9(19-3)4-5-10(11)14/h4-5,8,16,18H,6-7H2,1-3H3,(H2,15,17)
InChIKeyJLXBZTHETNFQLM-UHFFFAOYSA-N
XLogP2.92
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.92
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

5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064018
4-(2-bromo-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77069992
N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide
CID 77062215
4-(2-chloro-5-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107528785
4-(5-chloro-2-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061908
5-(2-chloro-5-methoxyanilino)pentanamide
CID 114281598
4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061870
N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
CID 77063510
5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104727352
5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063921
4-(2,3-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062239
4-(5-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062230

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062149) is 4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide is COc1ccc(Cl)c(NCCC(C)(C)C(N)=NO)c1.
What is the InChIKey of 4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is JLXBZTHETNFQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-13(2,12(15)17-18)6-7-16-11-8-9(19-3)4-5-10(11)14/h4-5,8,16,18H,6-7H2,1-3H3,(H2,15,17).
What are the key properties of 4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 285.77 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).