4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide

C12H15Cl2N3O2 — CID 90975974

IUPAC4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide
SMILESCOCN=C(CCC(N)=NO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-19-7-16-11(4-5-12(15)17-18)8-2-3-9(13)10(14)6-8/h2-3,6,18H,4-5,7H2,1H3,(H2,15,17)
InChIKeyDCBPAPKSGXLNNC-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.91
Rot. Bonds6

About 4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide

4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide (PubChem CID 90975974) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide
PubChem CID90975974
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide
SMILESCOCN=C(CCC(N)=NO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-19-7-16-11(4-5-12(15)17-18)8-2-3-9(13)10(14)6-8/h2-3,6,18H,4-5,7H2,1H3,(H2,15,17)
InChIKeyDCBPAPKSGXLNNC-UHFFFAOYSA-N
XLogP2.91
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.91
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'}

Analyze 4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3,4-dichloro-N-ethylbenzamide
CID 54992752
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
(NE)-N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethylidene]hydroxylamine
CID 170431852
2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine
CID 88810610
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-bromo-4-chloro-N-(2-methoxyethyl)benzamide
CID 107992488
4-(3,4-dichlorophenyl)-4-[2-(dimethylamino)ethylimino]butanal
CID 143930191
1-(3,4-dichlorophenyl)-N-methoxy-3-(2H-tetrazol-5-yl)propan-1-imine
CID 75083513
1-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)ethylideneamino]ethanimine
CID 2827019
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one
CID 58436870
5-(3,4-dichloroanilino)-N'-hydroxypentanimidamide
CID 77026091
1-(3,4-dichlorophenyl)-4-methoxybutan-1-one
CID 65091899
(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
CID 87388083

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide (CID 90975974) is 4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide is COCN=C(CCC(N)=NO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide?
The InChIKey is DCBPAPKSGXLNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-19-7-16-11(4-5-12(15)17-18)8-2-3-9(13)10(14)6-8/h2-3,6,18H,4-5,7H2,1H3,(H2,15,17).
What are the key properties of 4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide?
4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide has a molecular weight of 304.18 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N'-hydroxy-4-(methoxymethylimino)butanimidamide is sourced from PubChem (CID 90975974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).