N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide

C15H15ClN2O — CID 129074919

IUPACN'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide
SMILESON/C(CCc1ccccc1)=N/c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c16-13-7-4-8-14(11-13)17-15(18-19)10-9-12-5-2-1-3-6-12/h1-8,11,19H,9-10H2,(H,17,18)
InChIKeyAJMDBTLOVPDLCT-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.98
Rot. Bonds4

About N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide

N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide (PubChem CID 129074919) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide
PubChem CID129074919
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC NameN'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide
SMILESON/C(CCc1ccccc1)=N/c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/c16-13-7-4-8-14(11-13)17-15(18-19)10-9-12-5-2-1-3-6-12/h1-8,11,19H,9-10H2,(H,17,18)
InChIKeyAJMDBTLOVPDLCT-UHFFFAOYSA-N
XLogP3.98
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chlorophenyl)-N-hydroxy-2-(3-phenylcyclopentyl)ethanimidamide
CID 129051613
N'-(3-chlorophenyl)-N-hydroxy-2-(1-hydroxy-4-phenylcyclohexyl)ethanimidamide
CID 118569587
5-[tert-butyl(dimethyl)silyl]oxy-N'-(3-chlorophenyl)-N-hydroxypentanimidamide
CID 141473363
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N'-(3-chlorophenyl)-N-hydroxy-2-(4-pyridin-2-ylcyclohexyl)ethanimidamide
CID 118569505
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
3-(3-chlorophenyl)propanoate
CID 6946708
1-[2-(3-chlorophenyl)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111031333
N'-(3-chlorophenyl)-N-hydroxy-2-(4-phenylcyclohex-3-en-1-yl)ethanimidamide;N-(3-chlorophenyl)-2-(4-phenylcyclohex-3-en-1-yl)ethanethioamide
CID 159012818
N'-(3-chlorophenyl)-3,3-dimethylbutanimidamide
CID 67032180
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
3-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]propanoic acid
CID 23648095

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide (CID 129074919) is N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide is ON/C(CCc1ccccc1)=N/c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide?
The InChIKey is AJMDBTLOVPDLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-7-4-8-14(11-13)17-15(18-19)10-9-12-5-2-1-3-6-12/h1-8,11,19H,9-10H2,(H,17,18).
What are the key properties of N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide?
N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide has a molecular weight of 274.75 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 129074919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).