[anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten

C9H8ClN3W — CID 157319580

IUPAC[anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten
SMILESC=NC(Cl)=NC(=[W])Nc1ccccc1
InChIInChI=1S/C9H8ClN3.W/c1-11-9(10)13-7-12-8-5-3-2-4-6-8;/h2-6,12H,1H2;
InChIKeyXDYPIUXQLFUUBZ-UHFFFAOYSA-N
MW377.48 g/mol
LogP2.03
Rot. Bonds3

About [anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten

[anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten (PubChem CID 157319580) has the molecular formula C9H8ClN3W and a molecular weight of 377.48 g/mol. Its IUPAC name is [anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten.

Molecular Properties

Compound Name[anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten
PubChem CID157319580
Molecular FormulaC9H8ClN3W
Molecular Weight377.48 g/mol
Exact Mass376.99
IUPAC Name[anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten
SMILESC=NC(Cl)=NC(=[W])Nc1ccccc1
InChIInChI=1S/C9H8ClN3.W/c1-11-9(10)13-7-12-8-5-3-2-4-6-8;/h2-6,12H,1H2;
InChIKeyXDYPIUXQLFUUBZ-UHFFFAOYSA-N
XLogP2.03
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 18406310
ethane;N-phenylcarbamoyl chloride
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(2-anilino-2-oxoethyl)sulfanium
CID 153278909
1-[dichloro-(phenylcarbamoylamino)methyl]-3-phenylurea
CID 3516475
N-[1-(2-chlorophenyl)ethenyl]aniline
CID 155122535
2-anilino-N-phenylprop-2-enamide
CID 20522355
N-(1,2-dibromoethenyl)aniline
CID 173162967
1,1-difluoroethene;N-phenylaniline
CID 175173437
N-(2-anilinoethyl)carbamoyl chloride
CID 89292343
N-[2,2,2-trichloro-1-(phenylcarbamothioylamino)ethyl]formamide
CID 3281860
(Z)-N-phenylbenzenecarbohydrazonoyl chloride
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N-(3-methylbut-1-en-2-yl)aniline
CID 135251792

Frequently Asked Questions

What is the IUPAC name of [anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten?
The IUPAC name of [anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten (CID 157319580) is [anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten.
What is the SMILES notation for [anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten?
The canonical SMILES for [anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten is C=NC(Cl)=NC(=[W])Nc1ccccc1.
What is the InChIKey of [anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten?
The InChIKey is XDYPIUXQLFUUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3.W/c1-11-9(10)13-7-12-8-5-3-2-4-6-8;/h2-6,12H,1H2;.
What are the key properties of [anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten?
[anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten has a molecular weight of 377.48 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [anilino-[[chloro-(methylideneamino)methylidene]amino]methylidene]tungsten is sourced from PubChem (CID 157319580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).