3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide

C16H18ClN3O — CID 77044130

IUPAC3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
SMILESNC(=NO)C(CNCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c17-15-9-5-4-8-13(15)10-19-11-14(16(18)20-21)12-6-2-1-3-7-12/h1-9,14,19,21H,10-11H2,(H2,18,20)
InChIKeyPMTSCOJJIIFYRE-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.96
Rot. Bonds6

About 3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide

3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide (PubChem CID 77044130) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
PubChem CID77044130
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
SMILESNC(=NO)C(CNCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c17-15-9-5-4-8-13(15)10-19-11-14(16(18)20-21)12-6-2-1-3-7-12/h1-9,14,19,21H,10-11H2,(H2,18,20)
InChIKeyPMTSCOJJIIFYRE-UHFFFAOYSA-N
XLogP2.96
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.96
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-[(4-bromophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043527
N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
CID 77043643
N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide
CID 77044102
N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide
CID 77043764
3-(but-2-ynylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 113464676
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide
CID 77043610
N'-hydroxy-2-phenyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77043819
3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide
CID 107153079
N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide
CID 77043906
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide (CID 77044130) is 3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide is NC(=NO)C(CNCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide?
The InChIKey is PMTSCOJJIIFYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-15-9-5-4-8-13(15)10-19-11-14(16(18)20-21)12-6-2-1-3-7-12/h1-9,14,19,21H,10-11H2,(H2,18,20).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide?
3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide has a molecular weight of 303.79 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide is sourced from PubChem (CID 77044130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).