N'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide

C21H20N2O — CID 56668831

IUPACN'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide
SMILESCCc1ccccc1/N=C(\NO)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H20N2O/c1-2-16-10-6-9-15-20(16)22-21(23-24)19-14-8-7-13-18(19)17-11-4-3-5-12-17/h3-15,24H,2H2,1H3,(H,22,23)
InChIKeyIGVIJHUTUCPKSB-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.97
Rot. Bonds4

About N'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide

N'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide (PubChem CID 56668831) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide
PubChem CID56668831
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide
SMILESCCc1ccccc1/N=C(\NO)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H20N2O/c1-2-16-10-6-9-15-20(16)22-21(23-24)19-14-8-7-13-18(19)17-11-4-3-5-12-17/h3-15,24H,2H2,1H3,(H,22,23)
InChIKeyIGVIJHUTUCPKSB-UHFFFAOYSA-N
XLogP4.97
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.97
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide?
The IUPAC name of N'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide (CID 56668831) is N'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide.
What is the SMILES notation for N'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide?
The canonical SMILES for N'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide is CCc1ccccc1/N=C(\NO)c1ccccc1-c1ccccc1.
What is the InChIKey of N'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide?
The InChIKey is IGVIJHUTUCPKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-2-16-10-6-9-15-20(16)22-21(23-24)19-14-8-7-13-18(19)17-11-4-3-5-12-17/h3-15,24H,2H2,1H3,(H,22,23).
What are the key properties of N'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide?
N'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide has a molecular weight of 316.40 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)-N-hydroxy-2-phenylbenzenecarboximidamide is sourced from PubChem (CID 56668831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).