2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide

C17H14BrN5O — CID 6861934

IUPAC2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C\C(Br)=C/c1ccccc1
InChIInChI=1S/C17H14BrN5O/c18-14(10-13-6-2-1-3-7-13)11-19-21-17(24)12-23-16-9-5-4-8-15(16)20-22-23/h1-11H,12H2,(H,21,24)/b14-10+,19-11-
InChIKeyGLQSIRDOXHCRPW-YPJQUURKSA-N
MW384.24 g/mol
LogP2.97
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide

2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 6861934) has the molecular formula C17H14BrN5O and a molecular weight of 384.24 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID6861934
Molecular FormulaC17H14BrN5O
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC Name2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
SMILESO=C(Cn1nnc2ccccc21)N/N=C\C(Br)=C/c1ccccc1
InChIInChI=1S/C17H14BrN5O/c18-14(10-13-6-2-1-3-7-13)11-19-21-17(24)12-23-16-9-5-4-8-15(16)20-22-23/h1-11H,12H2,(H,21,24)/b14-10+,19-11-
InChIKeyGLQSIRDOXHCRPW-YPJQUURKSA-N
XLogP2.97
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(2-bromo-3-phenylprop-2-enylidene)amino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4596288
2-(benzotriazol-1-yl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 4004517
2-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 689343
2-(benzotriazol-1-yl)-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 1219430
2-(benzotriazol-1-yl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 155807833
2-[(Z)-[[2-(benzotriazol-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6115175
2-(benzotriazol-1-yl)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 136697516
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-phenylacetamide
CID 5407602
2-(benzotriazol-1-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 6014121
2-(benzotriazol-1-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 5397340
2-(benzotriazol-1-yl)-N-[(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 4987326
2-(benzotriazol-1-yl)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 770367

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide (CID 6861934) is 2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide is O=C(Cn1nnc2ccccc21)N/N=C\C(Br)=C/c1ccccc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is GLQSIRDOXHCRPW-YPJQUURKSA-N. The full InChI is InChI=1S/C17H14BrN5O/c18-14(10-13-6-2-1-3-7-13)11-19-21-17(24)12-23-16-9-5-4-8-15(16)20-22-23/h1-11H,12H2,(H,21,24)/b14-10+,19-11-.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide?
2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 384.24 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(Z)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6861934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).