4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide

C19H15ClN6O4 — CID 137224526

IUPAC4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide
SMILESO=Nc1c(O)n(Cc2cn(Cc3ccc(C(=O)NO)cc3)nn2)c2ccc(Cl)cc12
InChIInChI=1S/C19H15ClN6O4/c20-13-5-6-16-15(7-13)17(22-29)19(28)26(16)10-14-9-25(24-21-14)8-11-1-3-12(4-2-11)18(27)23-30/h1-7,9,28,30H,8,10H2,(H,23,27)
InChIKeyBYQUDVRYAYIREL-UHFFFAOYSA-N
MW426.82 g/mol
LogP3.21
Rot. Bonds6

About 4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide

4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 137224526) has the molecular formula C19H15ClN6O4 and a molecular weight of 426.82 g/mol. Its IUPAC name is 4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide
PubChem CID137224526
Molecular FormulaC19H15ClN6O4
Molecular Weight426.82 g/mol
Exact Mass426.08
IUPAC Name4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide
SMILESO=Nc1c(O)n(Cc2cn(Cc3ccc(C(=O)NO)cc3)nn2)c2ccc(Cl)cc12
InChIInChI=1S/C19H15ClN6O4/c20-13-5-6-16-15(7-13)17(22-29)19(28)26(16)10-14-9-25(24-21-14)8-11-1-3-12(4-2-11)18(27)23-30/h1-7,9,28,30H,8,10H2,(H,23,27)
InChIKeyBYQUDVRYAYIREL-UHFFFAOYSA-N
XLogP3.21
TPSA134.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.82
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 142749496
2,3-dihydroxy-1-[[1-[(4-sulfamoylphenyl)methyl]triazol-4-yl]methyl]indole-5-carboxamide
CID 175375909
1-[(3-benzylphenyl)methyl]-5-chloro-3-nitrosoindol-2-ol
CID 136505223
4-[4-[(7-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]-N-hydroxybutanamide
CID 137306424
5-chloro-3-nitroso-1-[(4-pentoxyphenyl)methyl]indol-2-ol
CID 135575223
[(Z)-[2-[4-[[3-(carbamoyldiazenyl)-5-chloro-2-hydroxyindol-1-yl]methyl]triazol-1-yl]phenyl]methylideneamino]urea
CID 172965313
4-[[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 114778729
N-hydroxy-4-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
CID 50991199
4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide
CID 87527968
N-hydroxy-4-[[4-[4-(morpholin-4-ylmethyl)phenyl]triazol-1-yl]methyl]benzamide
CID 50991200
1-benzyl-3-nitrosoindol-2-ol;5-fluoro-1-[(4-fluorophenyl)methyl]-3-nitrosoindol-2-ol
CID 161156786
4-chloro-N-hydroxybenzamide
CID 587178

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide (CID 137224526) is 4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide is O=Nc1c(O)n(Cc2cn(Cc3ccc(C(=O)NO)cc3)nn2)c2ccc(Cl)cc12.
What is the InChIKey of 4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is BYQUDVRYAYIREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O4/c20-13-5-6-16-15(7-13)17(22-29)19(28)26(16)10-14-9-25(24-21-14)8-11-1-3-12(4-2-11)18(27)23-30/h1-7,9,28,30H,8,10H2,(H,23,27).
What are the key properties of 4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide?
4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 426.82 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(5-chloro-2-hydroxy-3-nitrosoindol-1-yl)methyl]triazol-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 137224526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).