2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide

C17H13Cl2N3O3 — CID 9233411

IUPAC2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H13Cl2N3O3/c1-9(10-2-5-15-14(6-10)20-16(23)8-25-15)21-22-17(24)12-7-11(18)3-4-13(12)19/h2-7H,8H2,1H3,(H,20,23)(H,22,24)/b21-9-
InChIKeyIXVJRQICZMVSML-NKVSQWTQSA-N
MW378.22 g/mol
LogP3.48
Rot. Bonds3

About 2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide

2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide (PubChem CID 9233411) has the molecular formula C17H13Cl2N3O3 and a molecular weight of 378.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide
PubChem CID9233411
Molecular FormulaC17H13Cl2N3O3
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C17H13Cl2N3O3/c1-9(10-2-5-15-14(6-10)20-16(23)8-25-15)21-22-17(24)12-7-11(18)3-4-13(12)19/h2-7H,8H2,1H3,(H,20,23)(H,22,24)/b21-9-
InChIKeyIXVJRQICZMVSML-NKVSQWTQSA-N
XLogP3.48
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]carbamate
CID 9211787
N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide
CID 9211562
6-[(Z)-N-(2-chloroanilino)-C-methylcarbonimidoyl]-4H-1,4-benzoxazin-3-one
CID 9211664
6-[(Z)-N-(3-chloro-4-methylanilino)-C-methylcarbonimidoyl]-4H-1,4-benzoxazin-3-one
CID 9211607
6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4H-1,4-benzoxazin-3-one
CID 45286055
2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9035563
5-(4-fluorophenyl)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiophene-2-carboxamide
CID 9298327
1-(2-methoxyethyl)-3-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea
CID 9217000
2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9035669
6-[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]-4H-1,4-benzoxazin-3-one
CID 17407632
2-(4-cyanophenoxy)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9217788
6-(3-bromo-4-chlorobenzoyl)-4H-1,4-benzoxazin-3-one
CID 107998237

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide?
The IUPAC name of 2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide (CID 9233411) is 2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide?
The InChIKey is IXVJRQICZMVSML-NKVSQWTQSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3/c1-9(10-2-5-15-14(6-10)20-16(23)8-25-15)21-22-17(24)12-7-11(18)3-4-13(12)19/h2-7H,8H2,1H3,(H,20,23)(H,22,24)/b21-9-.
What are the key properties of 2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide?
2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide has a molecular weight of 378.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide is sourced from PubChem (CID 9233411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).