2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide

C19H20Br2N6O2 — CID 6415089

IUPAC2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide
SMILESCC(/C=N\NC(=O)CNc1cccc(Br)c1)=N/NC(=O)CNc1cccc(Br)c1
InChIInChI=1S/C19H20Br2N6O2/c1-13(25-27-19(29)12-23-17-7-3-5-15(21)9-17)10-24-26-18(28)11-22-16-6-2-4-14(20)8-16/h2-10,22-23H,11-12H2,1H3,(H,26,28)(H,27,29)/b24-10-,25-13-
InChIKeyQWHGIZRXBZFZOJ-FVHDPBBESA-N
MW524.22 g/mol
LogP3.33
Rot. Bonds9

About 2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide

2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide (PubChem CID 6415089) has the molecular formula C19H20Br2N6O2 and a molecular weight of 524.22 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide
PubChem CID6415089
Molecular FormulaC19H20Br2N6O2
Molecular Weight524.22 g/mol
Exact Mass522.00
IUPAC Name2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide
SMILESCC(/C=N\NC(=O)CNc1cccc(Br)c1)=N/NC(=O)CNc1cccc(Br)c1
InChIInChI=1S/C19H20Br2N6O2/c1-13(25-27-19(29)12-23-17-7-3-5-15(21)9-17)10-24-26-18(28)11-22-16-6-2-4-14(20)8-16/h2-10,22-23H,11-12H2,1H3,(H,26,28)(H,27,29)/b24-10-,25-13-
InChIKeyQWHGIZRXBZFZOJ-FVHDPBBESA-N
XLogP3.33
TPSA106.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.22
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromoanilino)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
CID 19617349
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
2-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136800236
2-(3-bromoanilino)-N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136670369
N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6902080
2-(3-bromoanilino)-N-(4-chlorophenyl)acetamide
CID 9080372
2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
CID 26416177
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(3-methylanilino)acetamide
CID 21157533
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398
2-(3-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 26505810
2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 3473753

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide?
The IUPAC name of 2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide (CID 6415089) is 2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide?
The canonical SMILES for 2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide is CC(/C=N\NC(=O)CNc1cccc(Br)c1)=N/NC(=O)CNc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide?
The InChIKey is QWHGIZRXBZFZOJ-FVHDPBBESA-N. The full InChI is InChI=1S/C19H20Br2N6O2/c1-13(25-27-19(29)12-23-17-7-3-5-15(21)9-17)10-24-26-18(28)11-22-16-6-2-4-14(20)8-16/h2-10,22-23H,11-12H2,1H3,(H,26,28)(H,27,29)/b24-10-,25-13-.
What are the key properties of 2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide?
2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide has a molecular weight of 524.22 g/mol, XLogP of 3.33, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-[(Z)-[(2Z)-2-[[2-(3-bromoanilino)acetyl]hydrazinylidene]propylidene]amino]acetamide is sourced from PubChem (CID 6415089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).