3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide

C15H16ClN3O — CID 107635860

IUPAC3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(Cl)c(NCc2cccc(/C(N)=N/O)c2)c1
InChIInChI=1S/C15H16ClN3O/c1-10-5-6-13(16)14(7-10)18-9-11-3-2-4-12(8-11)15(17)19-20/h2-8,18,20H,9H2,1H3,(H2,17,19)
InChIKeySNHHGGYINWVUQW-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.36
Rot. Bonds4

About 3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide

3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 107635860) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID107635860
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCc1ccc(Cl)c(NCc2cccc(/C(N)=N/O)c2)c1
InChIInChI=1S/C15H16ClN3O/c1-10-5-6-13(16)14(7-10)18-9-11-3-2-4-12(8-11)15(17)19-20/h2-8,18,20H,9H2,1H3,(H2,17,19)
InChIKeySNHHGGYINWVUQW-UHFFFAOYSA-N
XLogP3.36
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.36
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(5-fluoro-2-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029984
N-benzyl-2-chloro-5-methylaniline
CID 83290853
N'-hydroxy-3-[(2-methylsulfanylanilino)methyl]benzenecarboximidamide
CID 107645067
N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637344
3-[(4-bromo-2,6-dimethylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029133
N'-hydroxy-3-[[2-(methoxymethyl)anilino]methyl]benzenecarboximidamide
CID 77031477
2-chloro-N-[[3-(difluoromethyl)phenyl]methyl]-5-methylaniline
CID 107630813
3-[(2,2-dimethylpropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032714
N'-hydroxy-3-[[(2-hydroxy-2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 77056345
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
N'-hydroxy-3-(propylaminomethyl)benzenecarboximidamide
CID 77028524
3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide (CID 107635860) is 3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide is Cc1ccc(Cl)c(NCc2cccc(/C(N)=N/O)c2)c1.
What is the InChIKey of 3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is SNHHGGYINWVUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-5-6-13(16)14(7-10)18-9-11-3-2-4-12(8-11)15(17)19-20/h2-8,18,20H,9H2,1H3,(H2,17,19).
What are the key properties of 3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide?
3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 289.77 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107635860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).