3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide

C12H18ClN3O — CID 77027152

IUPAC3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN3O/c1-2-11(7-12(14)16-17)15-8-9-3-5-10(13)6-4-9/h3-6,11,15,17H,2,7-8H2,1H3,(H2,14,16)
InChIKeyMUNXFHOTESJBSW-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.34
Rot. Bonds6

About 3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide

3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide (PubChem CID 77027152) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
PubChem CID77027152
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN3O/c1-2-11(7-12(14)16-17)15-8-9-3-5-10(13)6-4-9/h3-6,11,15,17H,2,7-8H2,1H3,(H2,14,16)
InChIKeyMUNXFHOTESJBSW-UHFFFAOYSA-N
XLogP2.34
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.34
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-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027177
3-[(5-bromo-2-fluorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77032559
N-[(4-chlorophenyl)methyl]hexan-3-amine
CID 62118720
N'-hydroxy-3-[(2-methylphenyl)methylamino]pentanimidamide
CID 77029037
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide
CID 107992470
3-(3,4-difluoroanilino)-N'-hydroxypentanimidamide
CID 77026244
N'-hydroxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanimidamide
CID 106372805
N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide
CID 77031820
3-(but-2-ynylamino)-N'-hydroxypentanimidamide
CID 104861152
N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
CID 77026270
N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide
CID 103007279
3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77028742

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide (CID 77027152) is 3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide?
The InChIKey is MUNXFHOTESJBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-2-11(7-12(14)16-17)15-8-9-3-5-10(13)6-4-9/h3-6,11,15,17H,2,7-8H2,1H3,(H2,14,16).
What are the key properties of 3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide?
3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide has a molecular weight of 255.75 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77027152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).