5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid

C21H18N4O4 — CID 3022919

IUPAC5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid
SMILESCc1cc(C(=O)Nc2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)ccc1N
InChIInChI=1S/C21H18N4O4/c1-12-10-13(2-8-18(12)22)20(27)23-14-3-5-15(6-4-14)24-25-16-7-9-19(26)17(11-16)21(28)29/h2-11,26H,22H2,1H3,(H,23,27)(H,28,29)/b25-24+
InChIKeyGYJUGEJQICBCBF-OCOZRVBESA-N
MW390.40 g/mol
LogP4.65
Rot. Bonds5

About 5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid

5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid (PubChem CID 3022919) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid
PubChem CID3022919
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid
SMILESCc1cc(C(=O)Nc2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)ccc1N
InChIInChI=1S/C21H18N4O4/c1-12-10-13(2-8-18(12)22)20(27)23-14-3-5-15(6-4-14)24-25-16-7-9-19(26)17(11-16)21(28)29/h2-11,26H,22H2,1H3,(H,23,27)(H,28,29)/b25-24+
InChIKeyGYJUGEJQICBCBF-OCOZRVBESA-N
XLogP4.65
TPSA137.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 170854418
CID 170854418
3,4-dimethyl-N-(4-phenyldiazenylphenyl)benzamide
CID 3466026
2-hydroxy-5-[(3-isocyanato-4-methylbenzoyl)amino]benzoic acid
CID 169354673
2-hydroxy-5-[[3-methyl-4-(1,2,2-tricyanoethenylamino)benzoyl]amino]benzoic acid
CID 168609446
5-[[4-[[(cyanoamino)-methylsulfanylmethylidene]amino]-3-methylbenzoyl]amino]-2-hydroxybenzoic acid
CID 169363467
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
CID 66965766
4-amino-N-(3-hydroxyphenyl)-3-methylbenzamide
CID 61167676
N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107672026
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
CID 170844913
CID 170844913

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid (CID 3022919) is 5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid is Cc1cc(C(=O)Nc2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)ccc1N.
What is the InChIKey of 5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid?
The InChIKey is GYJUGEJQICBCBF-OCOZRVBESA-N. The full InChI is InChI=1S/C21H18N4O4/c1-12-10-13(2-8-18(12)22)20(27)23-14-3-5-15(6-4-14)24-25-16-7-9-19(26)17(11-16)21(28)29/h2-11,26H,22H2,1H3,(H,23,27)(H,28,29)/b25-24+.
What are the key properties of 5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid?
5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid has a molecular weight of 390.40 g/mol, XLogP of 4.65, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-amino-3-methylbenzoyl)amino]phenyl]diazenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 3022919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).