1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate

C23H15ClN3O3- — CID 136688245

IUPAC1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate
SMILESO=C(Nc1ccccc1)c1cc2ccccc2c(/N=N/c2cc(Cl)ccc2O)c1[O-]
InChIInChI=1S/C23H16ClN3O3/c24-15-10-11-20(28)19(13-15)26-27-21-17-9-5-4-6-14(17)12-18(22(21)29)23(30)25-16-7-2-1-3-8-16/h1-13,28-29H,(H,25,30)/p-1/b27-26+
InChIKeyDUGZYCYBXWLQDR-CYYJNZCTSA-M
MW416.84 g/mol
LogP5.94
Rot. Bonds4

About 1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate

1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate (PubChem CID 136688245) has the molecular formula C23H15ClN3O3- and a molecular weight of 416.84 g/mol. Its IUPAC name is 1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate.

Molecular Properties

Compound Name1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate
PubChem CID136688245
Molecular FormulaC23H15ClN3O3-
Molecular Weight416.84 g/mol
Exact Mass416.08
IUPAC Name1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate
SMILESO=C(Nc1ccccc1)c1cc2ccccc2c(/N=N/c2cc(Cl)ccc2O)c1[O-]
InChIInChI=1S/C23H16ClN3O3/c24-15-10-11-20(28)19(13-15)26-27-21-17-9-5-4-6-14(17)12-18(22(21)29)23(30)25-16-7-2-1-3-8-16/h1-13,28-29H,(H,25,30)/p-1/b27-26+
InChIKeyDUGZYCYBXWLQDR-CYYJNZCTSA-M
XLogP5.94
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.84
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
bis(1-[(5-tert-butyl-2-oxidophenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate);hydron;iron(3+)
CID 138394542
copper 3-carboxy-1-[[2-oxido-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalen-2-olate
CID 170853804
4-[(2-chloro-3-methylphenyl)diazenyl]-N-[4-[[4-[(2-chloro-3-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136854780
3-[anilino(hydroxy)methyl]-1-[(5-chloro-2-hydroxyphenyl)diazenyl]naphthalen-2-ol
CID 138503014
calcium;3-chloro-4-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid;3-chloro-4-[[3-[(4-methoxyphenyl)carbamoyl]-2-oxidonaphthalen-1-yl]diazenyl]-2-methylbenzenesulfonate
CID 136708596
2,5-dichloro-1-N,4-N-bis[4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalen-2-yl]benzene-1,4-dicarboxamide
CID 135985589
2-N,7-N-bis(4-chlorophenyl)-4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxynaphthalene-2,7-dicarboxamide;4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-N,7-N-bis(4-methylphenyl)naphthalene-2,7-dicarboxamide;4-[(2,5-dichlorophenyl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide;methane
CID 159447607
barium(2+);4-chloro-5-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid;4-chloro-5-[[3-[(4-methoxyphenyl)carbamoyl]-2-oxidonaphthalen-1-yl]diazenyl]-2-methylbenzenesulfonate
CID 136707974
4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 135991568
barium(2+);2-chloro-6-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-3-methylbenzenesulfonic acid;2-chloro-6-[[3-[(4-methoxyphenyl)carbamoyl]-2-oxidonaphthalen-1-yl]diazenyl]-3-methylbenzenesulfonate
CID 136707928
1-[(3,5-dicarboxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate;didecyl(dimethyl)azanium
CID 161449264

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate?
The IUPAC name of 1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate (CID 136688245) is 1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate.
What is the SMILES notation for 1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate?
The canonical SMILES for 1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate is O=C(Nc1ccccc1)c1cc2ccccc2c(/N=N/c2cc(Cl)ccc2O)c1[O-].
What is the InChIKey of 1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate?
The InChIKey is DUGZYCYBXWLQDR-CYYJNZCTSA-M. The full InChI is InChI=1S/C23H16ClN3O3/c24-15-10-11-20(28)19(13-15)26-27-21-17-9-5-4-6-14(17)12-18(22(21)29)23(30)25-16-7-2-1-3-8-16/h1-13,28-29H,(H,25,30)/p-1/b27-26+.
What are the key properties of 1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate?
1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate has a molecular weight of 416.84 g/mol, XLogP of 5.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate is sourced from PubChem (CID 136688245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).