2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide

C14H11Cl2N3O2 — CID 135781395

IUPAC2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H11Cl2N3O2/c15-9-5-8(13(20)11(16)6-9)7-18-19-14(21)10-3-1-2-4-12(10)17/h1-7,20H,17H2,(H,19,21)/b18-7-
InChIKeyYFBBLPMKWMGEMK-WSVATBPTSA-N
MW324.17 g/mol
LogP3.05
Rot. Bonds3

About 2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide

2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135781395) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135781395
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C\c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H11Cl2N3O2/c15-9-5-8(13(20)11(16)6-9)7-18-19-14(21)10-3-1-2-4-12(10)17/h1-7,20H,17H2,(H,19,21)/b18-7-
InChIKeyYFBBLPMKWMGEMK-WSVATBPTSA-N
XLogP3.05
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide (CID 135781395) is 2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide is Nc1ccccc1C(=O)N/N=C\c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is YFBBLPMKWMGEMK-WSVATBPTSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-9-5-8(13(20)11(16)6-9)7-18-19-14(21)10-3-1-2-4-12(10)17/h1-7,20H,17H2,(H,19,21)/b18-7-.
What are the key properties of 2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide?
2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 324.17 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135781395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).