4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide

C15H15Cl2N3O — CID 114482665

IUPAC4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-9-6-10(15(18)20-21)2-3-11(9)8-19-12-4-5-13(16)14(17)7-12/h2-7,19,21H,8H2,1H3,(H2,18,20)
InChIKeyRTSCWWAWCZZACU-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.01
Rot. Bonds4

About 4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide

4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 114482665) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID114482665
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-9-6-10(15(18)20-21)2-3-11(9)8-19-12-4-5-13(16)14(17)7-12/h2-7,19,21H,8H2,1H3,(H2,18,20)
InChIKeyRTSCWWAWCZZACU-UHFFFAOYSA-N
XLogP4.01
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.01
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

4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482639
3-chloro-4-[(4-fluoro-3-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667127
3-chloro-4-[(4-chloro-3-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667229
N'-hydroxy-3-methyl-4-[[(1-methylpyrazol-4-yl)amino]methyl]benzenecarboximidamide
CID 114482991
3-chloro-4-[(4-ethylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667041
N'-hydroxy-3-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzenecarboximidamide
CID 114482992
N'-hydroxy-4-[(2-iodoanilino)methyl]-3-methylbenzenecarboximidamide
CID 114482726
4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482642
3-chloro-N'-hydroxy-4-[(3-iodoanilino)methyl]benzenecarboximidamide
CID 102667062
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482916
N'-hydroxy-4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzenecarboximidamide
CID 114482743
4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482972

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 114482665) is 4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cc(/C(N)=N/O)ccc1CNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is RTSCWWAWCZZACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-9-6-10(15(18)20-21)2-3-11(9)8-19-12-4-5-13(16)14(17)7-12/h2-7,19,21H,8H2,1H3,(H2,18,20).
What are the key properties of 4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 324.21 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichloroanilino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114482665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).