N-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide

C11H14Cl2N4O — CID 12635616

IUPACN-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide
SMILESCC(=O)NCC/N=C(\N)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl2N4O/c1-7(18)15-5-6-16-11(14)17-10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyCCCGEXCTPVMJLE-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.86
Rot. Bonds4

About N-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide

N-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide (PubChem CID 12635616) has the molecular formula C11H14Cl2N4O and a molecular weight of 289.17 g/mol. Its IUPAC name is N-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide
PubChem CID12635616
Molecular FormulaC11H14Cl2N4O
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC NameN-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide
SMILESCC(=O)NCC/N=C(\N)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C11H14Cl2N4O/c1-7(18)15-5-6-16-11(14)17-10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3,(H,15,18)(H3,14,16,17)
InChIKeyCCCGEXCTPVMJLE-UHFFFAOYSA-N
XLogP1.86
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide (CID 12635616) is N-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide is CC(=O)NCC/N=C(\N)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide?
The InChIKey is CCCGEXCTPVMJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O/c1-7(18)15-5-6-16-11(14)17-10-8(12)3-2-4-9(10)13/h2-4H,5-6H2,1H3,(H,15,18)(H3,14,16,17).
What are the key properties of N-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide?
N-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide has a molecular weight of 289.17 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(2,6-dichloroanilino)methylidene]amino]ethyl]acetamide is sourced from PubChem (CID 12635616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).