N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide

C21H14Cl2FN3O2 — CID 94831737

IUPACN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1c(Cl)cccc1Cl)c1ccccc1F
InChIInChI=1S/C21H14Cl2FN3O2/c22-16-8-5-9-17(23)15(16)12-25-27-21(29)14-7-2-4-11-19(14)26-20(28)13-6-1-3-10-18(13)24/h1-12H,(H,26,28)(H,27,29)/b25-12-
InChIKeyXEELQQHGKPTCCC-ROTLSHHCSA-N
MW430.27 g/mol
LogP5.15
Rot. Bonds5

About N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide (PubChem CID 94831737) has the molecular formula C21H14Cl2FN3O2 and a molecular weight of 430.27 g/mol. Its IUPAC name is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
PubChem CID94831737
Molecular FormulaC21H14Cl2FN3O2
Molecular Weight430.27 g/mol
Exact Mass429.04
IUPAC NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C\c1c(Cl)cccc1Cl)c1ccccc1F
InChIInChI=1S/C21H14Cl2FN3O2/c22-16-8-5-9-17(23)15(16)12-25-27-21(29)14-7-2-4-11-19(14)26-20(28)13-6-1-3-10-18(13)24/h1-12H,(H,26,28)(H,27,29)/b25-12-
InChIKeyXEELQQHGKPTCCC-ROTLSHHCSA-N
XLogP5.15
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.27
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[(Z)-(2,6-dichlorophenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 94844709
2-[(2-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23107914
2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 680916
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 1484920
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657919
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 6028561
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019936

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide (CID 94831737) is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide is O=C(Nc1ccccc1C(=O)N/N=C\c1c(Cl)cccc1Cl)c1ccccc1F.
What is the InChIKey of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide?
The InChIKey is XEELQQHGKPTCCC-ROTLSHHCSA-N. The full InChI is InChI=1S/C21H14Cl2FN3O2/c22-16-8-5-9-17(23)15(16)12-25-27-21(29)14-7-2-4-11-19(14)26-20(28)13-6-1-3-10-18(13)24/h1-12H,(H,26,28)(H,27,29)/b25-12-.
What are the key properties of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide?
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide has a molecular weight of 430.27 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 94831737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).