N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide

C12H6Cl4N2O — CID 12576957

IUPACN-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide
SMILESO=C(NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl)c1ccccc1
InChIInChI=1S/C12H6Cl4N2O/c13-7-8(14)10(16)11(9(7)15)17-18-12(19)6-4-2-1-3-5-6/h1-5H,(H,18,19)
InChIKeyKQDNREGKNSEUSU-UHFFFAOYSA-N
MW336.01 g/mol
LogP4.16
Rot. Bonds2

About N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide

N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide (PubChem CID 12576957) has the molecular formula C12H6Cl4N2O and a molecular weight of 336.01 g/mol. Its IUPAC name is N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide.

Molecular Properties

Compound NameN-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide
PubChem CID12576957
Molecular FormulaC12H6Cl4N2O
Molecular Weight336.01 g/mol
Exact Mass333.92
IUPAC NameN-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide
SMILESO=C(NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl)c1ccccc1
InChIInChI=1S/C12H6Cl4N2O/c13-7-8(14)10(16)11(9(7)15)17-18-12(19)6-4-2-1-3-5-6/h1-5H,(H,18,19)
InChIKeyKQDNREGKNSEUSU-UHFFFAOYSA-N
XLogP4.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.01
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide?
The IUPAC name of N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide (CID 12576957) is N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide.
What is the SMILES notation for N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide?
The canonical SMILES for N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide is O=C(NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl)c1ccccc1.
What is the InChIKey of N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide?
The InChIKey is KQDNREGKNSEUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl4N2O/c13-7-8(14)10(16)11(9(7)15)17-18-12(19)6-4-2-1-3-5-6/h1-5H,(H,18,19).
What are the key properties of N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide?
N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide has a molecular weight of 336.01 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]benzamide is sourced from PubChem (CID 12576957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).