N'-(3-chlorophenyl)-N-hydroxymethanimidamide

C7H7ClN2O — CID 20763326

IUPACN'-(3-chlorophenyl)-N-hydroxymethanimidamide
SMILESON/C=N/c1cccc(Cl)c1
InChIInChI=1S/C7H7ClN2O/c8-6-2-1-3-7(4-6)9-5-10-11/h1-5,11H,(H,9,10)
InChIKeyWCFWRWWXNAXFFP-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.98
Rot. Bonds2

About N'-(3-chlorophenyl)-N-hydroxymethanimidamide

N'-(3-chlorophenyl)-N-hydroxymethanimidamide (PubChem CID 20763326) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-hydroxymethanimidamide
PubChem CID20763326
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC NameN'-(3-chlorophenyl)-N-hydroxymethanimidamide
SMILESON/C=N/c1cccc(Cl)c1
InChIInChI=1S/C7H7ClN2O/c8-6-2-1-3-7(4-6)9-5-10-11/h1-5,11H,(H,9,10)
InChIKeyWCFWRWWXNAXFFP-UHFFFAOYSA-N
XLogP1.98
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.98
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-hydroxy-N'-(3-methylphenyl)methanimidamide
CID 20763605
N-hydroxy-N'-[3-(trifluoromethyl)phenyl]methanimidamide
CID 20763507
N-hydroxy-N'-(3-methylsulfanylphenyl)methanimidamide
CID 20763498
N'-(3-chloro-2-pyridinyl)-N-hydroxymethanimidamide
CID 164852617
N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide
CID 131233186
4-[(3-chlorophenyl)iminomethyl]phenol
CID 4592750
(E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine
CID 6247301
N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine
CID 21130230
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
3-chloro-N-[5-(3-chlorophenyl)iminopenta-1,3-dienyl]aniline
CID 165343790
1-anthracen-9-yl-N-(3-chlorophenyl)methanimine
CID 5218949
N-(3-chlorophenyl)-3-phenylprop-2-yn-1-imine
CID 135072087

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-N-hydroxymethanimidamide (CID 20763326) is N'-(3-chlorophenyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-hydroxymethanimidamide is ON/C=N/c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-hydroxymethanimidamide?
The InChIKey is WCFWRWWXNAXFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-6-2-1-3-7(4-6)9-5-10-11/h1-5,11H,(H,9,10).
What are the key properties of N'-(3-chlorophenyl)-N-hydroxymethanimidamide?
N'-(3-chlorophenyl)-N-hydroxymethanimidamide has a molecular weight of 170.60 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 20763326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).