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

C10H10Cl4N2O — CID 12576949

IUPAC2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide
SMILESCC(C)(C)C(=O)NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl
InChIInChI=1S/C10H10Cl4N2O/c1-10(2,3)9(17)16-15-8-6(13)4(11)5(12)7(8)14/h1-3H3,(H,16,17)
InChIKeyVEJYKBVAEQYEKK-UHFFFAOYSA-N
MW316.02 g/mol
LogP3.90
Rot. Bonds1

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

2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide (PubChem CID 12576949) has the molecular formula C10H10Cl4N2O and a molecular weight of 316.02 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide
PubChem CID12576949
Molecular FormulaC10H10Cl4N2O
Molecular Weight316.02 g/mol
Exact Mass313.95
IUPAC Name2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide
SMILESCC(C)(C)C(=O)NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl
InChIInChI=1S/C10H10Cl4N2O/c1-10(2,3)9(17)16-15-8-6(13)4(11)5(12)7(8)14/h1-3H3,(H,16,17)
InChIKeyVEJYKBVAEQYEKK-UHFFFAOYSA-N
XLogP3.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.02
LogP ≤ 53.90
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 2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide (CID 12576949) is 2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide is CC(C)(C)C(=O)NN=C1C(Cl)=C(Cl)C(Cl)=C1Cl.
What is the InChIKey of 2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide?
The InChIKey is VEJYKBVAEQYEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl4N2O/c1-10(2,3)9(17)16-15-8-6(13)4(11)5(12)7(8)14/h1-3H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide?
2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide has a molecular weight of 316.02 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)amino]propanamide is sourced from PubChem (CID 12576949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).