(2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide

C16H14ClN7O2 — CID 135678633

IUPAC(2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide
SMILESO/N=C(C(=N/c1nnnn1Cc1ccc(Cl)cc1)/NO)\c1ccccc1
InChIInChI=1S/C16H14ClN7O2/c17-13-8-6-11(7-9-13)10-24-16(19-22-23-24)18-15(21-26)14(20-25)12-4-2-1-3-5-12/h1-9,25-26H,10H2,(H,18,19,21,23)/b20-14+
InChIKeyWDRFQYBTMLQZTE-XSFVSMFZSA-N
MW371.79 g/mol
LogP2.26
Rot. Bonds5

About (2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide

(2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide (PubChem CID 135678633) has the molecular formula C16H14ClN7O2 and a molecular weight of 371.79 g/mol. Its IUPAC name is (2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide.

Molecular Properties

Compound Name(2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide
PubChem CID135678633
Molecular FormulaC16H14ClN7O2
Molecular Weight371.79 g/mol
Exact Mass371.09
IUPAC Name(2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide
SMILESO/N=C(C(=N/c1nnnn1Cc1ccc(Cl)cc1)/NO)\c1ccccc1
InChIInChI=1S/C16H14ClN7O2/c17-13-8-6-11(7-9-13)10-24-16(19-22-23-24)18-15(21-26)14(20-25)12-4-2-1-3-5-12/h1-9,25-26H,10H2,(H,18,19,21,23)/b20-14+
InChIKeyWDRFQYBTMLQZTE-XSFVSMFZSA-N
XLogP2.26
TPSA120.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

(NZ)-N-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethylidene]hydroxylamine
CID 155663054
N'-[3-[(2-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide
CID 135402089
1-[(4-chlorophenyl)methyl]tetrazole-5-carboxylic acid
CID 23354570
1-benzyl-5-chlorotetrazole
CID 46835417
[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone
CID 12012844
(2E)-N'-[(3-chloro-4-methoxyphenyl)methyl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide
CID 135839461
(2E)-N'-[5-(4-benzylpiperazin-1-yl)-2-nitrophenyl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide
CID 135839454
(2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone
CID 6415852
4-[(5-benzyltetrazol-1-yl)methyl]benzoic acid
CID 82226211
4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
CID 162652849
(2E)-N-hydroxy-2-hydroxyimino-N'-([1,2]oxazolo[5,4-b]pyridin-3-yl)-2-phenylethanimidamide
CID 135839474
1-benzyltetrazole-5-carboxamide
CID 122714819

Frequently Asked Questions

What is the IUPAC name of (2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide?
The IUPAC name of (2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide (CID 135678633) is (2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide.
What is the SMILES notation for (2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide?
The canonical SMILES for (2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide is O/N=C(C(=N/c1nnnn1Cc1ccc(Cl)cc1)/NO)\c1ccccc1.
What is the InChIKey of (2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide?
The InChIKey is WDRFQYBTMLQZTE-XSFVSMFZSA-N. The full InChI is InChI=1S/C16H14ClN7O2/c17-13-8-6-11(7-9-13)10-24-16(19-22-23-24)18-15(21-26)14(20-25)12-4-2-1-3-5-12/h1-9,25-26H,10H2,(H,18,19,21,23)/b20-14+.
What are the key properties of (2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide?
(2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide has a molecular weight of 371.79 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N'-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]-N-hydroxy-2-hydroxyimino-2-phenylethanimidamide is sourced from PubChem (CID 135678633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).