N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide

C8H6Cl2N2O2 — CID 135478823

IUPACN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide
SMILESO=CN/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H6Cl2N2O2/c9-6-1-5(3-11-12-4-13)8(14)7(10)2-6/h1-4,14H,(H,12,13)/b11-3+
InChIKeyNZGHELMGHHAQFA-QDEBKDIKSA-N
MW233.05 g/mol
LogP1.78
Rot. Bonds3

About N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide

N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide (PubChem CID 135478823) has the molecular formula C8H6Cl2N2O2 and a molecular weight of 233.05 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide
PubChem CID135478823
Molecular FormulaC8H6Cl2N2O2
Molecular Weight233.05 g/mol
Exact Mass231.98
IUPAC NameN-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide
SMILESO=CN/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C8H6Cl2N2O2/c9-6-1-5(3-11-12-4-13)8(14)7(10)2-6/h1-4,14H,(H,12,13)/b11-3+
InChIKeyNZGHELMGHHAQFA-QDEBKDIKSA-N
XLogP1.78
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3,5-Dichloro-2-hydroxyphenyl)ethylidene]-1-hydrazinecarboxamide
CID 135520619
1-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-hydroxyurea
CID 135438167
4-[3-[(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]propyl]-1,4-dihydropyrazol-5-one
CID 2803665
2,2'-Bis[(5-chloro-2-hydroxyphenyl)methylene]-carbonic Dihydrazide
CID 135527074
3,5-Dichloro-2-hydroxybenzaldehyde hydrazone
CID 135445572
N'',N'''-Bis[(3,5-dichloro-2-hydroxyphenyl)methylene]carbonic dihydrazide
CID 135533439
2-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 135545702
3,5-Dichloro-2-hydroxybenzaldehyde oxime
CID 135408734
2,4-Dichloro-6-((2-hydroxy-ethylimino)-methyl)-phenol
CID 2731517
(6E)-2,4-dichloro-6-[[2-[(E)-(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
CID 135418722
2,4-Dichloro-6-[(2-hydroxyethylhydrazinylidene)methyl]phenol
CID 2798151
6-{(1E)-2-[(2-hydroxyethyl)amino]-2-azavinyl}-2,4-dichlorophenol
CID 135445532

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide?
The IUPAC name of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide (CID 135478823) is N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide.
What is the SMILES notation for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide?
The canonical SMILES for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide is O=CN/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide?
The InChIKey is NZGHELMGHHAQFA-QDEBKDIKSA-N. The full InChI is InChI=1S/C8H6Cl2N2O2/c9-6-1-5(3-11-12-4-13)8(14)7(10)2-6/h1-4,14H,(H,12,13)/b11-3+.
What are the key properties of N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide?
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide has a molecular weight of 233.05 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]formamide is sourced from PubChem (CID 135478823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).