3-(4-chlorophenyl)-N'-hydroxypropanimidamide

C9H11ClN2O — CID 91810227

IUPAC3-(4-chlorophenyl)-N'-hydroxypropanimidamide
SMILESN/C(CCc1ccc(Cl)cc1)=N/O
InChIInChI=1S/C9H11ClN2O/c10-8-4-1-7(2-5-8)3-6-9(11)12-13/h1-2,4-5,13H,3,6H2,(H2,11,12)
InChIKeyLVFFODAVROSRCN-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.02
Rot. Bonds3

About 3-(4-chlorophenyl)-N'-hydroxypropanimidamide

3-(4-chlorophenyl)-N'-hydroxypropanimidamide (PubChem CID 91810227) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N'-hydroxypropanimidamide
PubChem CID91810227
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-(4-chlorophenyl)-N'-hydroxypropanimidamide
SMILESN/C(CCc1ccc(Cl)cc1)=N/O
InChIInChI=1S/C9H11ClN2O/c10-8-4-1-7(2-5-8)3-6-9(11)12-13/h1-2,4-5,13H,3,6H2,(H2,11,12)
InChIKeyLVFFODAVROSRCN-UHFFFAOYSA-N
XLogP2.02
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.02
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-N'-hydroxybutanimidamide
CID 156545661
4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77032070
3-(4-fluorophenyl)-N'-hydroxypropanimidamide
CID 140529999
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide
CID 77056923
3-(4-chlorophenyl)propanoic acid;guanidine
CID 69413371
N-[(3E)-3-amino-3-hydroxyiminopropyl]-4-chloro-N-methylbenzamide
CID 6249988
1-amino-4-(4-chlorophenyl)butan-2-one
CID 59029546
N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide
CID 76911867
methyl 4-(4-chlorophenyl)-2-hydroxyiminobutanoate
CID 73432751
3-[1-(4-chlorophenyl)ethylamino]-N'-hydroxypropanimidamide
CID 77031281
(3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide
CID 159122040

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(4-chlorophenyl)-N'-hydroxypropanimidamide (CID 91810227) is 3-(4-chlorophenyl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(4-chlorophenyl)-N'-hydroxypropanimidamide is N/C(CCc1ccc(Cl)cc1)=N/O.
What is the InChIKey of 3-(4-chlorophenyl)-N'-hydroxypropanimidamide?
The InChIKey is LVFFODAVROSRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-8-4-1-7(2-5-8)3-6-9(11)12-13/h1-2,4-5,13H,3,6H2,(H2,11,12).
What are the key properties of 3-(4-chlorophenyl)-N'-hydroxypropanimidamide?
3-(4-chlorophenyl)-N'-hydroxypropanimidamide has a molecular weight of 198.65 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 91810227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).