2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid

C15H14ClN3O2 — CID 11093530

IUPAC2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid
SMILESCN(C)c1ccc(/N=N/c2ccccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C15H14ClN3O2/c1-19(2)10-7-8-14(12(16)9-10)18-17-13-6-4-3-5-11(13)15(20)21/h3-9H,1-2H3,(H,20,21)/b18-17+
InChIKeyWQHNXXWHVILURR-ISLYRVAYSA-N
MW303.75 g/mol
LogP4.52
Rot. Bonds4

About 2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid

2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid (PubChem CID 11093530) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid
PubChem CID11093530
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid
SMILESCN(C)c1ccc(/N=N/c2ccccc2C(=O)O)c(Cl)c1
InChIInChI=1S/C15H14ClN3O2/c1-19(2)10-7-8-14(12(16)9-10)18-17-13-6-4-3-5-11(13)15(20)21/h3-9H,1-2H3,(H,20,21)/b18-17+
InChIKeyWQHNXXWHVILURR-ISLYRVAYSA-N
XLogP4.52
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorobenzoyl)amino]-5-(dimethylamino)benzoic acid
CID 50781021
5-(dimethylamino)-2-[(4-sulfophenyl)diazenyl]benzoic acid
CID 86059603
2-[[4-(diethylamino)phenyl]diazenyl]benzoic acid iodide
CID 20831759
2-[[4-[[(2R)-2-bromopropyl]-[(2S)-2-bromopropyl]amino]-2-methylphenyl]diazenyl]benzoic acid
CID 94843995
2-[[4-(methylamino)phenyl]diazenyl]benzoic acid
CID 13038165
2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
CID 655619
2-benzoyl-5-(dimethylamino)benzoic acid
CID 19812381
ethyl 2-[(2,5-dichlorophenyl)diazenyl]-5-(dimethylamino)benzoate
CID 91723981
3-chloro-2-[3-(dimethylamino)phenoxy]benzoic acid
CID 104629531
1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione
CID 12619979
4-[(2-chlorophenyl)diazenyl]-2-hydroxybenzoic acid
CID 102029732
2-[3-(dimethylamino)phenyl]benzoic acid
CID 39226074

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid?
The IUPAC name of 2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid (CID 11093530) is 2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid.
What is the SMILES notation for 2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid?
The canonical SMILES for 2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid is CN(C)c1ccc(/N=N/c2ccccc2C(=O)O)c(Cl)c1.
What is the InChIKey of 2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid?
The InChIKey is WQHNXXWHVILURR-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-19(2)10-7-8-14(12(16)9-10)18-17-13-6-4-3-5-11(13)15(20)21/h3-9H,1-2H3,(H,20,21)/b18-17+.
What are the key properties of 2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid?
2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid has a molecular weight of 303.75 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(dimethylamino)phenyl]diazenyl]benzoic acid is sourced from PubChem (CID 11093530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).