methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate

C10H10Br2N2O4 — CID 2274594

IUPACmethyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1cc(OC)c(O)c(Br)c1Br
InChIInChI=1S/C10H10Br2N2O4/c1-17-6-3-5(4-13-14-10(16)18-2)7(11)8(12)9(6)15/h3-4,15H,1-2H3,(H,14,16)
InChIKeyNOTPJVULLUVXIS-UHFFFAOYSA-N
MW382.01 g/mol
LogP2.62
Rot. Bonds3

About methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate

methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate (PubChem CID 2274594) has the molecular formula C10H10Br2N2O4 and a molecular weight of 382.01 g/mol. Its IUPAC name is methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
PubChem CID2274594
Molecular FormulaC10H10Br2N2O4
Molecular Weight382.01 g/mol
Exact Mass379.90
IUPAC Namemethyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1cc(OC)c(O)c(Br)c1Br
InChIInChI=1S/C10H10Br2N2O4/c1-17-6-3-5(4-13-14-10(16)18-2)7(11)8(12)9(6)15/h3-4,15H,1-2H3,(H,14,16)
InChIKeyNOTPJVULLUVXIS-UHFFFAOYSA-N
XLogP2.62
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.01
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

3-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 136865713
2-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135922466
methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 4598161
methyl N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 136747503
N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 3295001
N-[(E)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 163326149
4-amino-N-[(E)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 135606159
N-[(E)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135684249
N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135905102
N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 1362157
2,3-dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
(3S)-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136850014

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate (CID 2274594) is methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate is COC(=O)NN=Cc1cc(OC)c(O)c(Br)c1Br.
What is the InChIKey of methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate?
The InChIKey is NOTPJVULLUVXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O4/c1-17-6-3-5(4-13-14-10(16)18-2)7(11)8(12)9(6)15/h3-4,15H,1-2H3,(H,14,16).
What are the key properties of methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate?
methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate has a molecular weight of 382.01 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 2274594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).