3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide

C14H12Cl2IN3O — CID 107635883

IUPAC3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(CNc2ccc(Cl)cc2I)c(Cl)c1
InChIInChI=1S/C14H12Cl2IN3O/c15-10-3-4-13(12(17)6-10)19-7-9-2-1-8(5-11(9)16)14(18)20-21/h1-6,19,21H,7H2,(H2,18,20)
InChIKeyLWKILAPZFIAHLX-UHFFFAOYSA-N
MW436.08 g/mol
LogP4.30
Rot. Bonds4

About 3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide

3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 107635883) has the molecular formula C14H12Cl2IN3O and a molecular weight of 436.08 g/mol. Its IUPAC name is 3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID107635883
Molecular FormulaC14H12Cl2IN3O
Molecular Weight436.08 g/mol
Exact Mass434.94
IUPAC Name3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(CNc2ccc(Cl)cc2I)c(Cl)c1
InChIInChI=1S/C14H12Cl2IN3O/c15-10-3-4-13(12(17)6-10)19-7-9-2-1-8(5-11(9)16)14(18)20-21/h1-6,19,21H,7H2,(H2,18,20)
InChIKeyLWKILAPZFIAHLX-UHFFFAOYSA-N
XLogP4.30
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.08
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

3-chloro-4-[(2-chloro-4-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 107606986
3-chloro-N'-hydroxy-4-[(3-iodoanilino)methyl]benzenecarboximidamide
CID 102667062
3-chloro-4-[(4-chloro-3-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667229
3-chloro-4-[(4-fluoro-3-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667127
3-chloro-N'-hydroxy-4-[(2-hydroxyethylamino)methyl]benzenecarboximidamide
CID 102667080
3-chloro-N'-hydroxy-4-[(3-methylpentan-3-ylamino)methyl]benzenecarboximidamide
CID 106329343
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide
CID 114482726
3-chloro-4-[(4-ethylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667041
3-chloro-N'-hydroxy-4-[(prop-2-enylamino)methyl]benzenecarboximidamide
CID 102666967
3-chloro-4-[(3-fluoropropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 114267018
3-chloro-N'-hydroxy-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzenecarboximidamide
CID 102667329

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide (CID 107635883) is 3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(CNc2ccc(Cl)cc2I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is LWKILAPZFIAHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2IN3O/c15-10-3-4-13(12(17)6-10)19-7-9-2-1-8(5-11(9)16)14(18)20-21/h1-6,19,21H,7H2,(H2,18,20).
What are the key properties of 3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide?
3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 436.08 g/mol, XLogP of 4.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-chloro-2-iodoanilino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107635883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).