2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide

C15H15BrClN3O — CID 76984935

IUPAC2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1ccccc1Br)c1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C15H15BrClN3O/c1-20(9-10-4-2-3-5-13(10)16)14-8-11(17)6-7-12(14)15(18)19-21/h2-8,21H,9H2,1H3,(H2,18,19)
InChIKeyIAXCYLCXRMCEKD-UHFFFAOYSA-N
MW368.66 g/mol
LogP3.83
Rot. Bonds4

About 2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide

2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 76984935) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID76984935
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1ccccc1Br)c1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C15H15BrClN3O/c1-20(9-10-4-2-3-5-13(10)16)14-8-11(17)6-7-12(14)15(18)19-21/h2-8,21H,9H2,1H3,(H2,18,19)
InChIKeyIAXCYLCXRMCEKD-UHFFFAOYSA-N
XLogP3.83
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 53.83
H-Bond Donors ≤ 52
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'}

Analyze 2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide 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

4-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76984880
2-(2-aminoethyl)-N-[(2-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861370
4-chloro-N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76984760
4-chloro-N'-hydroxy-2-[methyl(propyl)amino]benzenecarboximidamide
CID 76984850
4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 76985005
2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 61416620
2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939000
2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide
CID 63083482
2-[(2,3-dichlorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 107306598
2-[(4-bromophenyl)methyl-methylamino]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 76944640
2-[(2-bromophenyl)methoxy]-5-chloro-N'-hydroxybenzenecarboximidamide
CID 82824507
4-chloro-2-[cyclopentylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 77002613

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide (CID 76984935) is 2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide is CN(Cc1ccccc1Br)c1cc(Cl)ccc1C(N)=NO.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is IAXCYLCXRMCEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-20(9-10-4-2-3-5-13(10)16)14-8-11(17)6-7-12(14)15(18)19-21/h2-8,21H,9H2,1H3,(H2,18,19).
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide?
2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 368.66 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76984935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).