4-(4-chlorophenyl)-N'-hydroxybutanimidamide

C10H13ClN2O — CID 156545661

IUPAC4-(4-chlorophenyl)-N'-hydroxybutanimidamide
SMILESN/C(CCCc1ccc(Cl)cc1)=N\O
InChIInChI=1S/C10H13ClN2O/c11-9-6-4-8(5-7-9)2-1-3-10(12)13-14/h4-7,14H,1-3H2,(H2,12,13)
InChIKeyVJJRMPMVRVUJPU-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.41
Rot. Bonds4

About 4-(4-chlorophenyl)-N'-hydroxybutanimidamide

4-(4-chlorophenyl)-N'-hydroxybutanimidamide (PubChem CID 156545661) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N'-hydroxybutanimidamide
PubChem CID156545661
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-(4-chlorophenyl)-N'-hydroxybutanimidamide
SMILESN/C(CCCc1ccc(Cl)cc1)=N\O
InChIInChI=1S/C10H13ClN2O/c11-9-6-4-8(5-7-9)2-1-3-10(12)13-14/h4-7,14H,1-3H2,(H2,12,13)
InChIKeyVJJRMPMVRVUJPU-UHFFFAOYSA-N
XLogP2.41
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.41
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

3-(4-chlorophenyl)-N'-hydroxypropanimidamide
CID 91810227
4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77032070
4-[(4-chlorophenyl)methoxy]-N'-hydroxybutanimidamide
CID 77056923
4-[2-(2,4-dichlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77025238
3-(4-fluorophenyl)-N'-hydroxypropanimidamide
CID 140529999
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N'-hydroxybutanimidamide
CID 81354649
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77025804
N-[(3E)-3-amino-3-hydroxyiminopropyl]-4-chloro-N-methylbenzamide
CID 6249988
6-(4-chlorophenyl)hex-1-en-3-one
CID 145267913
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
4-(4-chloro-2-methylphenoxy)-N'-hydroxybutanimidamide
CID 24697005

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(4-chlorophenyl)-N'-hydroxybutanimidamide (CID 156545661) is 4-(4-chlorophenyl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(4-chlorophenyl)-N'-hydroxybutanimidamide is N/C(CCCc1ccc(Cl)cc1)=N\O.
What is the InChIKey of 4-(4-chlorophenyl)-N'-hydroxybutanimidamide?
The InChIKey is VJJRMPMVRVUJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-9-6-4-8(5-7-9)2-1-3-10(12)13-14/h4-7,14H,1-3H2,(H2,12,13).
What are the key properties of 4-(4-chlorophenyl)-N'-hydroxybutanimidamide?
4-(4-chlorophenyl)-N'-hydroxybutanimidamide has a molecular weight of 212.68 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 156545661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).