[(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium

C12H11Cl2N2O+ — CID 8007611

IUPAC[(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium
SMILESC/[NH+]=C(/Nc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C12H10Cl2N2O/c1-15-12(11-3-2-6-17-11)16-8-4-5-9(13)10(14)7-8/h2-7H,1H3,(H,15,16)/p+1
InChIKeyXIKOCTLWHQYXNQ-UHFFFAOYSA-O
MW270.14 g/mol
LogP2.16
Rot. Bonds2

About [(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium

[(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium (PubChem CID 8007611) has the molecular formula C12H11Cl2N2O+ and a molecular weight of 270.14 g/mol. Its IUPAC name is [(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium.

Molecular Properties

Compound Name[(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium
PubChem CID8007611
Molecular FormulaC12H11Cl2N2O+
Molecular Weight270.14 g/mol
Exact Mass269.02
IUPAC Name[(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium
SMILESC/[NH+]=C(/Nc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C12H10Cl2N2O/c1-15-12(11-3-2-6-17-11)16-8-4-5-9(13)10(14)7-8/h2-7H,1H3,(H,15,16)/p+1
InChIKeyXIKOCTLWHQYXNQ-UHFFFAOYSA-O
XLogP2.16
TPSA39.14 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(4-fluoroanilino)-(furan-2-yl)methylidene]-methylazanium
CID 8007604
N-[(1R)-2,2,2-trichloro-1-[(3,4-dichlorophenyl)carbamothioylamino]ethyl]furan-2-carboxamide
CID 1119006
2-chloro-5-(furan-2-carbonylamino)benzoate
CID 7473194
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide
CID 47385052
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888490
[4-[(3,4-dichlorophenyl)carbamoyl-sulfanylamino]phenyl] furan-2-carboxylate
CID 57288321
N-(3,4-dichlorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917918
N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 85481980
N-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31305744
N-(3-chloro-4-fluorophenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515189
1-[2,2-bis(furan-2-yl)ethyl]-3-(3,4-dichlorophenyl)urea
CID 131701819
3,4-dichloro-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 17118164

Frequently Asked Questions

What is the IUPAC name of [(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium?
The IUPAC name of [(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium (CID 8007611) is [(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium.
What is the SMILES notation for [(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium?
The canonical SMILES for [(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium is C/[NH+]=C(/Nc1ccc(Cl)c(Cl)c1)c1ccco1.
What is the InChIKey of [(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium?
The InChIKey is XIKOCTLWHQYXNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H10Cl2N2O/c1-15-12(11-3-2-6-17-11)16-8-4-5-9(13)10(14)7-8/h2-7H,1H3,(H,15,16)/p+1.
What are the key properties of [(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium?
[(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium has a molecular weight of 270.14 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-dichloroanilino)-(furan-2-yl)methylidene]-methylazanium is sourced from PubChem (CID 8007611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).