methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate

C10H10Br2N2O4 — CID 4598161

IUPACmethyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1c(O)c(OC)cc(Br)c1Br
InChIInChI=1S/C10H10Br2N2O4/c1-17-7-3-6(11)8(12)5(9(7)15)4-13-14-10(16)18-2/h3-4,15H,1-2H3,(H,14,16)
InChIKeyOVLJYXGADAJNDX-UHFFFAOYSA-N
MW382.01 g/mol
LogP2.62
Rot. Bonds3

About methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate

methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate (PubChem CID 4598161) has the molecular formula C10H10Br2N2O4 and a molecular weight of 382.01 g/mol. Its IUPAC name is methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
PubChem CID4598161
Molecular FormulaC10H10Br2N2O4
Molecular Weight382.01 g/mol
Exact Mass379.90
IUPAC Namemethyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1c(O)c(OC)cc(Br)c1Br
InChIInChI=1S/C10H10Br2N2O4/c1-17-7-3-6(11)8(12)5(9(7)15)4-13-14-10(16)18-2/h3-4,15H,1-2H3,(H,14,16)
InChIKeyOVLJYXGADAJNDX-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_A(479)', '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

methyl N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 136747503
tert-butyl N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 135642273
N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 135578539
methyl N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 2274594
N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 136793261
N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578986
3,4-dibromo-6-methoxy-2-[[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 3662486
N-[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 139301914
trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 136695749
2-[(4-anilinophenyl)iminomethyl]-3,4-dibromo-6-methoxyphenol
CID 171981143
N-[4-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-4-iodobenzamide
CID 3342367
N-[(Z)-3-[(2E)-2-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 135648616

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate (CID 4598161) is methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate is COC(=O)NN=Cc1c(O)c(OC)cc(Br)c1Br.
What is the InChIKey of methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate?
The InChIKey is OVLJYXGADAJNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O4/c1-17-7-3-6(11)8(12)5(9(7)15)4-13-14-10(16)18-2/h3-4,15H,1-2H3,(H,14,16).
What are the key properties of methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate?
methyl N-[(2,3-dibromo-6-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-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate is sourced from PubChem (CID 4598161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).