2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide

C11H15Cl2N3O — CID 77065105

IUPAC2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-7(11(14)15-17)16(2)6-8-5-9(12)3-4-10(8)13/h3-5,7,17H,6H2,1-2H3,(H2,14,15)
InChIKeyYNQYHMMEALPKRV-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.56
Rot. Bonds4

About 2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide

2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide (PubChem CID 77065105) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
PubChem CID77065105
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-7(11(14)15-17)16(2)6-8-5-9(12)3-4-10(8)13/h3-5,7,17H,6H2,1-2H3,(H2,14,15)
InChIKeyYNQYHMMEALPKRV-UHFFFAOYSA-N
XLogP2.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.56
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'}

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Related Compounds

2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 76928067
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
CID 62638137
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide
CID 76928325
2-[(2,5-dichlorophenyl)methyl-propan-2-ylamino]ethanethioamide
CID 65317522
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
(2S)-2-[(3,5-dichlorophenyl)methyl-methylamino]propanamide
CID 94190668
2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide
CID 66568195
3-[(2,5-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65316606
2-[[amino(methyl)amino]methyl]-4-chlorophenol
CID 130033260
3-[(2,5-dichlorophenyl)methyl-methylamino]propanimidamide
CID 65317630
3-N-[(2,4-dichlorophenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040409

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide (CID 77065105) is 2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is YNQYHMMEALPKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-7(11(14)15-17)16(2)6-8-5-9(12)3-4-10(8)13/h3-5,7,17H,6H2,1-2H3,(H2,14,15).
What are the key properties of 2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide?
2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 276.17 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77065105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).