1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide

C22H14Cl2F2N4O2 — CID 3524205

IUPAC1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESO=C(NN=Cc1c(F)cccc1Cl)c1ccc(C(=O)NN=Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C22H14Cl2F2N4O2/c23-17-3-1-5-19(25)15(17)11-27-29-21(31)13-7-9-14(10-8-13)22(32)30-28-12-16-18(24)4-2-6-20(16)26/h1-12H,(H,29,31)(H,30,32)
InChIKeyOHUOXQNRYMHINL-UHFFFAOYSA-N
MW475.28 g/mol
LogP4.80
Rot. Bonds6

About 1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide

1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide (PubChem CID 3524205) has the molecular formula C22H14Cl2F2N4O2 and a molecular weight of 475.28 g/mol. Its IUPAC name is 1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
PubChem CID3524205
Molecular FormulaC22H14Cl2F2N4O2
Molecular Weight475.28 g/mol
Exact Mass474.05
IUPAC Name1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESO=C(NN=Cc1c(F)cccc1Cl)c1ccc(C(=O)NN=Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C22H14Cl2F2N4O2/c23-17-3-1-5-19(25)15(17)11-27-29-21(31)13-7-9-14(10-8-13)22(32)30-28-12-16-18(24)4-2-6-20(16)26/h1-12H,(H,29,31)(H,30,32)
InChIKeyOHUOXQNRYMHINL-UHFFFAOYSA-N
XLogP4.80
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.28
LogP ≤ 54.80
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 1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide 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

4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide
CID 137058198
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
N-[(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 4166236
N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6907884
N-[(2-chloro-6-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847586
N-[(E)-(2-fluoro-6-hydroxyphenyl)methylideneamino]benzamide
CID 135937131
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781494
N-[2-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 7976843
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126117840
N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide
CID 774733

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide (CID 3524205) is 1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide is O=C(NN=Cc1c(F)cccc1Cl)c1ccc(C(=O)NN=Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is OHUOXQNRYMHINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F2N4O2/c23-17-3-1-5-19(25)15(17)11-27-29-21(31)13-7-9-14(10-8-13)22(32)30-28-12-16-18(24)4-2-6-20(16)26/h1-12H,(H,29,31)(H,30,32).
What are the key properties of 1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 475.28 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 3524205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).