2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide

C15H11ClN6O4 — CID 135489080

IUPAC2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(Cn1nc2ccccc2n1)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H11ClN6O4/c16-10-5-9(15(24)13(6-10)22(25)26)7-17-18-14(23)8-21-19-11-3-1-2-4-12(11)20-21/h1-7,24H,8H2,(H,18,23)/b17-7+
InChIKeyNPBBUFXMZNTQLF-REZTVBANSA-N
MW374.74 g/mol
LogP1.85
Rot. Bonds5

About 2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide

2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide (PubChem CID 135489080) has the molecular formula C15H11ClN6O4 and a molecular weight of 374.74 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide
PubChem CID135489080
Molecular FormulaC15H11ClN6O4
Molecular Weight374.74 g/mol
Exact Mass374.05
IUPAC Name2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(Cn1nc2ccccc2n1)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H11ClN6O4/c16-10-5-9(15(24)13(6-10)22(25)26)7-17-18-14(23)8-21-19-11-3-1-2-4-12(11)20-21/h1-7,24H,8H2,(H,18,23)/b17-7+
InChIKeyNPBBUFXMZNTQLF-REZTVBANSA-N
XLogP1.85
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.74
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2H-1,2,3-benzotriazol-2-yl)-N'-{2-hydroxy-5-nitrobenzylidene}acetohydrazide
CID 135512384
2-(benzotriazol-2-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4022430
2-(1H-1,2,3-benzotriazol-1-yl)-N'-(5-chloro-2-hydroxy-3-nitrobenzylidene)acetohydrazide
CID 135411344
2-(benzotriazol-2-yl)-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 4022429
2-[(E)-[[2-(benzotriazol-1-yl)acetyl]hydrazinylidene]methyl]-4-chloro-6-nitrophenolate
CID 6896915
2-(Aminomethyl)-6-(benzotriazol-2-yl)-4-chlorophenol
CID 22066403
1-(Benzotriazol-1-yl)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]propan-2-one
CID 148003753
2-(benzotriazol-1-yl)-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 3841668
3-(benzotriazol-1-yl)-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]propanamide
CID 4187976
2-[(Z)-[[2-(benzotriazol-2-yl)acetyl]hydrazinylidene]methyl]-4-chloro-6-nitrophenolate
CID 5569813
2-[(Z)-[[2-(benzotriazol-1-yl)acetyl]hydrazinylidene]methyl]-4-chloro-6-nitrophenolate
CID 5657677
3-(benzotriazol-1-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]propanamide
CID 135683235

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide (CID 135489080) is 2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide is O=C(Cn1nc2ccccc2n1)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is NPBBUFXMZNTQLF-REZTVBANSA-N. The full InChI is InChI=1S/C15H11ClN6O4/c16-10-5-9(15(24)13(6-10)22(25)26)7-17-18-14(23)8-21-19-11-3-1-2-4-12(11)20-21/h1-7,24H,8H2,(H,18,23)/b17-7+.
What are the key properties of 2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide?
2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 374.74 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135489080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).