2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine

C11H15ClN4O4 — CID 142660061

IUPAC2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1cc(C=N/N=C(/N)NO)c(Cl)c(OC)c1OC
InChIInChI=1S/C11H15ClN4O4/c1-18-7-4-6(5-14-15-11(13)16-17)8(12)10(20-3)9(7)19-2/h4-5,17H,1-3H3,(H3,13,15,16)
InChIKeyNFEZARIWTRCHQR-UHFFFAOYSA-N
MW302.72 g/mol
LogP0.99
Rot. Bonds5

About 2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine

2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 142660061) has the molecular formula C11H15ClN4O4 and a molecular weight of 302.72 g/mol. Its IUPAC name is 2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID142660061
Molecular FormulaC11H15ClN4O4
Molecular Weight302.72 g/mol
Exact Mass302.08
IUPAC Name2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
SMILESCOc1cc(C=N/N=C(/N)NO)c(Cl)c(OC)c1OC
InChIInChI=1S/C11H15ClN4O4/c1-18-7-4-6(5-14-15-11(13)16-17)8(12)10(20-3)9(7)19-2/h4-5,17H,1-3H3,(H3,13,15,16)
InChIKeyNFEZARIWTRCHQR-UHFFFAOYSA-N
XLogP0.99
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 5494118
2-[(E)-(2-chloro-3,4,5-triethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173223391
2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173023877
2-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 139982922
2-[(E)-(2-chloro-3,4-dimethoxy-6-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 10300026
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173058134
2-[(2-bromo-3,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 91364850
1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 139982862
2-[(E)-(2-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 135573350
2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
CID 110538562
1,2-bis[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]guanidine
CID 161283561
2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 173023876

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine (CID 142660061) is 2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine is COc1cc(C=N/N=C(/N)NO)c(Cl)c(OC)c1OC.
What is the InChIKey of 2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is NFEZARIWTRCHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O4/c1-18-7-4-6(5-14-15-11(13)16-17)8(12)10(20-3)9(7)19-2/h4-5,17H,1-3H3,(H3,13,15,16).
What are the key properties of 2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine?
2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 302.72 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 142660061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).