2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide

C15H16ClN3O — CID 77030304

IUPAC2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1CNCc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O/c16-13-6-3-4-11(8-13)9-18-10-12-5-1-2-7-14(12)15(17)19-20/h1-8,18,20H,9-10H2,(H2,17,19)
InChIKeyYFVNCFYCLPXBSD-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.72
Rot. Bonds5

About 2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide

2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77030304) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77030304
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1CNCc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O/c16-13-6-3-4-11(8-13)9-18-10-12-5-1-2-7-14(12)15(17)19-20/h1-8,18,20H,9-10H2,(H2,17,19)
InChIKeyYFVNCFYCLPXBSD-UHFFFAOYSA-N
XLogP2.72
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.72
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

N'-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]benzenecarboximidamide
CID 77028839
2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026609
2-[[(2,4-difluorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77027172
N'-hydroxy-2-(propylaminomethyl)benzenecarboximidamide
CID 77028736
N'-hydroxy-2-[(thiophen-2-ylmethylamino)methyl]benzenecarboximidamide
CID 77029595
N'-hydroxy-2-[(pyridazin-3-ylmethylamino)methyl]benzenecarboximidamide
CID 106896370
2-[(2-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026856
1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744302
N'-hydroxy-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzenecarboximidamide
CID 77026755
5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77030098
N'-hydroxy-2-[(3-methylbut-2-enylamino)methyl]benzenecarboximidamide
CID 114155961
2-[(2,3-dihydroxypropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77113883

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide (CID 77030304) is 2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccccc1CNCc1cccc(Cl)c1.
What is the InChIKey of 2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is YFVNCFYCLPXBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-13-6-3-4-11(8-13)9-18-10-12-5-1-2-7-14(12)15(17)19-20/h1-8,18,20H,9-10H2,(H2,17,19).
What are the key properties of 2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide?
2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 289.77 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chlorophenyl)methylamino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77030304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).