tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride

C76H96Cl4N20O20 — CID 160961505

IUPACtetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride
SMILESCC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc([N+]#N)c1.CC(=O)Nc1cccc([N+]#N)c1.CC(=O)Nc1cccc([N+]#N)c1.CC(=O)Nc1cccc([N+]#N)c1.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/4C8H7N3O.4C8H10N2O.6C2H4O2.4ClH/c4*1-6(12)10-7-3-2-4-8(5-7)11-9;4*1-6(11)10-8-4-2-3-7(9)5-8;6*1-2(3)4;;;;/h4*2-5H,1H3;4*2-5H,9H2,1H3,(H,10,11);6*1H3,(H,3,4);4*1H
InChIKeyNNPFDAGDDFYBHR-UHFFFAOYSA-N
MW1751.54 g/mol
LogP1.99
Rot. Bonds8

About tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride

tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride (PubChem CID 160961505) has the molecular formula C76H96Cl4N20O20 and a molecular weight of 1751.54 g/mol. Its IUPAC name is tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride.

Molecular Properties

Compound Nametetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride
PubChem CID160961505
Molecular FormulaC76H96Cl4N20O20
Molecular Weight1751.54 g/mol
Exact Mass1748.59
IUPAC Nametetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride
SMILESCC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc([N+]#N)c1.CC(=O)Nc1cccc([N+]#N)c1.CC(=O)Nc1cccc([N+]#N)c1.CC(=O)Nc1cccc([N+]#N)c1.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/4C8H7N3O.4C8H10N2O.6C2H4O2.4ClH/c4*1-6(12)10-7-3-2-4-8(5-7)11-9;4*1-6(11)10-8-4-2-3-7(9)5-8;6*1-2(3)4;;;;/h4*2-5H,1H3;4*2-5H,9H2,1H3,(H,10,11);6*1H3,(H,3,4);4*1H
InChIKeyNNPFDAGDDFYBHR-UHFFFAOYSA-N
XLogP1.99
TPSA673.28 Ų
H-Bond Donors18
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001751.54
LogP ≤ 51.99
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[(3-aminophenyl)carbamoyl]acetamide
CID 86767324
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
[3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide
CID 176766473
acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462
N-(3-aminophenyl)acetamide;1,3-benzothiazole
CID 21431079
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
2-(3-aminoanilino)-2-oxoacetic acid;tris(hydroxymethyl)-methylazanium
CID 70618013
3-(3-aminophenyl)-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 63701302
N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995366
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride?
The IUPAC name of tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride (CID 160961505) is tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride.
What is the SMILES notation for tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride?
The canonical SMILES for tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride is CC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc(N)c1.CC(=O)Nc1cccc([N+]#N)c1.CC(=O)Nc1cccc([N+]#N)c1.CC(=O)Nc1cccc([N+]#N)c1.CC(=O)Nc1cccc([N+]#N)c1.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride?
The InChIKey is NNPFDAGDDFYBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H7N3O.4C8H10N2O.6C2H4O2.4ClH/c4*1-6(12)10-7-3-2-4-8(5-7)11-9;4*1-6(11)10-8-4-2-3-7(9)5-8;6*1-2(3)4;;;;/h4*2-5H,1H3;4*2-5H,9H2,1H3,(H,10,11);6*1H3,(H,3,4);4*1H.
What are the key properties of tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride?
tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride has a molecular weight of 1751.54 g/mol, XLogP of 1.99, 8 rotatable bonds, 18 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride is sourced from PubChem (CID 160961505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).