N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide

C14H13N3O2 — CID 137229272

IUPACN-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide
SMILESON=C(/C(=N/c1ccccc1)NO)c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-16-13(11-7-3-1-4-8-11)14(17-19)15-12-9-5-2-6-10-12/h1-10,18-19H,(H,15,17)
InChIKeyIDBHCBKXPVWFGI-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.57
Rot. Bonds3

About N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide

N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide (PubChem CID 137229272) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide.

Molecular Properties

Compound NameN-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide
PubChem CID137229272
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide
SMILESON=C(/C(=N/c1ccccc1)NO)c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-16-13(11-7-3-1-4-8-11)14(17-19)15-12-9-5-2-6-10-12/h1-10,18-19H,(H,15,17)
InChIKeyIDBHCBKXPVWFGI-UHFFFAOYSA-N
XLogP2.57
TPSA77.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide
CID 135839474
N-hydroxy-2-hydroxyimino-2-phenyl-N'-(3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-yl)ethanimidamide
CID 135402124
N'-[3-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide
CID 135402089
(2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide
CID 135678633
(2E)-N-hydroxy-N'-phenyl-2-(phenylhydrazinylidene)propanimidamide
CID 135776417
N'-(4-chlorophenyl)-2-[2-[2-[[2-(4-chlorophenyl)imino-2-(hydroxyamino)-1-(4-phenylphenyl)ethylidene]amino]ethylamino]ethylimino]-N-hydroxy-2-(4-phenylphenyl)ethanimidamide
CID 136716661
1-anilino-2-phenylguanidine
CID 18758781
N-(2-methyl-1-phenylprop-2-enylidene)hydroxylamine
CID 73116354
(2E)-N'-[(3-chloro-4-methoxyphenyl)methyl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide
CID 135839461
N,N-dimethyl-2-phenyl-2-phenyliminoacetamide
CID 11736863
(2E)-N'-[5-(4-benzylpiperazin-1-yl)-2-nitrophenyl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide
CID 135839454
(2E,3E)-2,3-bis(hydroxyimino)-3-phenylpropanenitrile
CID 136857277

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide?
The IUPAC name of N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide (CID 137229272) is N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide.
What is the SMILES notation for N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide?
The canonical SMILES for N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide is ON=C(/C(=N/c1ccccc1)NO)c1ccccc1.
What is the InChIKey of N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide?
The InChIKey is IDBHCBKXPVWFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-16-13(11-7-3-1-4-8-11)14(17-19)15-12-9-5-2-6-10-12/h1-10,18-19H,(H,15,17).
What are the key properties of N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide?
N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide has a molecular weight of 255.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-hydroxyimino-N',2-diphenylethanimidamide is sourced from PubChem (CID 137229272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).