N'-hydroxy-3-phenylbenzenecarboximidamide

C13H12N2O — CID 6023857

IUPACN'-hydroxy-3-phenylbenzenecarboximidamide
SMILESN/C(=N/O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H12N2O/c14-13(15-16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,16H,(H2,14,15)
InChIKeyIWOAFEGCMOMHJB-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.45
Rot. Bonds2

About N'-hydroxy-3-phenylbenzenecarboximidamide

N'-hydroxy-3-phenylbenzenecarboximidamide (PubChem CID 6023857) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N'-hydroxy-3-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-phenylbenzenecarboximidamide
PubChem CID6023857
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN'-hydroxy-3-phenylbenzenecarboximidamide
SMILESN/C(=N/O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H12N2O/c14-13(15-16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,16H,(H2,14,15)
InChIKeyIWOAFEGCMOMHJB-UHFFFAOYSA-N
XLogP2.45
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.45
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

N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 71745689
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
N'-benzyl-3-phenylbenzenecarboximidamide
CID 142527130
3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide
CID 142515838
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide
CID 145000761
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide
CID 87478935
2-[3-(N'-hydroxycarbamimidoyl)phenyl]acetic acid
CID 90990640
3-phenylbenzamide;phosphoric acid
CID 130454344
N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-phenylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-phenylbenzenecarboximidamide (CID 6023857) is N'-hydroxy-3-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-phenylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-phenylbenzenecarboximidamide is N/C(=N/O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N'-hydroxy-3-phenylbenzenecarboximidamide?
The InChIKey is IWOAFEGCMOMHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13(15-16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,16H,(H2,14,15).
What are the key properties of N'-hydroxy-3-phenylbenzenecarboximidamide?
N'-hydroxy-3-phenylbenzenecarboximidamide has a molecular weight of 212.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-phenylbenzenecarboximidamide is sourced from PubChem (CID 6023857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).