4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate

C19H14BrN4O4- — CID 7083716

IUPAC4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate
SMILESO=C(CNc1ccc2ccccc2c1)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C19H15BrN4O4/c20-15-7-14(19(26)17(9-15)24(27)28)10-22-23-18(25)11-21-16-6-5-12-3-1-2-4-13(12)8-16/h1-10,21,26H,11H2,(H,23,25)/p-1/b22-10-
InChIKeyBOASRMIIYSFYLJ-YVNNLAQVSA-M
MW442.25 g/mol
LogP3.15
Rot. Bonds6

About 4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate

4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate (PubChem CID 7083716) has the molecular formula C19H14BrN4O4- and a molecular weight of 442.25 g/mol. Its IUPAC name is 4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate.

Molecular Properties

Compound Name4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate
PubChem CID7083716
Molecular FormulaC19H14BrN4O4-
Molecular Weight442.25 g/mol
Exact Mass441.02
IUPAC Name4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate
SMILESO=C(CNc1ccc2ccccc2c1)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C19H15BrN4O4/c20-15-7-14(19(26)17(9-15)24(27)28)10-22-23-18(25)11-21-16-6-5-12-3-1-2-4-13(12)8-16/h1-10,21,26H,11H2,(H,23,25)/p-1/b22-10-
InChIKeyBOASRMIIYSFYLJ-YVNNLAQVSA-M
XLogP3.15
TPSA119.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.25
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135737263
4-bromo-2-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate
CID 7341365
2-[(Z)-[[2-(1,3-benzodioxol-5-ylamino)acetyl]hydrazinylidene]methyl]-4-bromo-6-nitrophenolate
CID 7097101
N-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 3248879
N-[(Z)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135831238
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135579099
[2,4-dibromo-6-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6286095
2-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]-4-bromo-6-nitrophenolate
CID 6876488
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 71066400
4-bromo-2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
CID 7353787
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6886154

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate?
The IUPAC name of 4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate (CID 7083716) is 4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate.
What is the SMILES notation for 4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate?
The canonical SMILES for 4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate is O=C(CNc1ccc2ccccc2c1)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1[O-].
What is the InChIKey of 4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate?
The InChIKey is BOASRMIIYSFYLJ-YVNNLAQVSA-M. The full InChI is InChI=1S/C19H15BrN4O4/c20-15-7-14(19(26)17(9-15)24(27)28)10-22-23-18(25)11-21-16-6-5-12-3-1-2-4-13(12)8-16/h1-10,21,26H,11H2,(H,23,25)/p-1/b22-10-.
What are the key properties of 4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate?
4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate has a molecular weight of 442.25 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]-6-nitrophenolate is sourced from PubChem (CID 7083716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).