N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide

C8H9ClN4O — CID 173296438

IUPACN'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide
SMILESC=NNC(=NN)c1ccc(O)c(Cl)c1
InChIInChI=1S/C8H9ClN4O/c1-11-13-8(12-10)5-2-3-7(14)6(9)4-5/h2-4,14H,1,10H2,(H,12,13)
InChIKeyLPTSTLBCWOKJIP-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.87
Rot. Bonds2

About N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide

N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide (PubChem CID 173296438) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide
PubChem CID173296438
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC NameN'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide
SMILESC=NNC(=NN)c1ccc(O)c(Cl)c1
InChIInChI=1S/C8H9ClN4O/c1-11-13-8(12-10)5-2-3-7(14)6(9)4-5/h2-4,14H,1,10H2,(H,12,13)
InChIKeyLPTSTLBCWOKJIP-UHFFFAOYSA-N
XLogP0.87
TPSA83.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

1-(3-chloro-4-hydroxyphenyl)ethenylazanium
CID 147864839
3-chloro-4-hydroxybenzamide
CID 22932347
3-chloro-4-hydroxybenzohydrazide
CID 10954268
4-[(1R)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171202442
4-[(1S)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171221995
3-chloro-N-(2-chloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 64787162
3-(3-chloro-4-hydroxybenzoyl)oxypropyl 3-chloro-4-hydroxybenzoate
CID 139915014
2-phenylbut-3-enyl 3-chloro-4-hydroxybenzoate
CID 19769137
methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
CID 60654193
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide
CID 62666300
(3-chloro-4-hydroxyphenyl)-(4-iodophenyl)methanone
CID 19043713
3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
CID 64788669

Frequently Asked Questions

What is the IUPAC name of N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide?
The IUPAC name of N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide (CID 173296438) is N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide.
What is the SMILES notation for N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide?
The canonical SMILES for N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide is C=NNC(=NN)c1ccc(O)c(Cl)c1.
What is the InChIKey of N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide?
The InChIKey is LPTSTLBCWOKJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c1-11-13-8(12-10)5-2-3-7(14)6(9)4-5/h2-4,14H,1,10H2,(H,12,13).
What are the key properties of N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide?
N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide has a molecular weight of 212.64 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-chloro-4-hydroxy-N-(methylideneamino)benzenecarboximidamide is sourced from PubChem (CID 173296438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).