N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide

C24H20F3N3O3 — CID 157139900

IUPACN-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide
SMILESCOCc1cccc(-c2cc3c(cc2C(F)(F)F)N=C(Nc2cccc(C(=O)NO)c2)C3)c1
InChIInChI=1S/C24H20F3N3O3/c1-33-13-14-4-2-5-15(8-14)19-10-17-11-22(29-21(17)12-20(19)24(25,26)27)28-18-7-3-6-16(9-18)23(31)30-32/h2-10,12,32H,11,13H2,1H3,(H,28,29)(H,30,31)
InChIKeyAKBNGDRWWGKOLJ-UHFFFAOYSA-N
MW455.44 g/mol
LogP5.34
Rot. Bonds5

About N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide

N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide (PubChem CID 157139900) has the molecular formula C24H20F3N3O3 and a molecular weight of 455.44 g/mol. Its IUPAC name is N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide
PubChem CID157139900
Molecular FormulaC24H20F3N3O3
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC NameN-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide
SMILESCOCc1cccc(-c2cc3c(cc2C(F)(F)F)N=C(Nc2cccc(C(=O)NO)c2)C3)c1
InChIInChI=1S/C24H20F3N3O3/c1-33-13-14-4-2-5-15(8-14)19-10-17-11-22(29-21(17)12-20(19)24(25,26)27)28-18-7-3-6-16(9-18)23(31)30-32/h2-10,12,32H,11,13H2,1H3,(H,28,29)(H,30,31)
InChIKeyAKBNGDRWWGKOLJ-UHFFFAOYSA-N
XLogP5.34
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.44
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-hydroxy-3-[[6-methylsulfonyl-5-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide
CID 160785610
3-[(6-bromo-5-methyl-3H-indol-2-yl)amino]-N-hydroxybenzamide
CID 149003619
3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]amino]-N-methylbenzamide
CID 158760093
[2-[3-[[5-cyano-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-methylamino]phenyl]-2-oxoethyl] N-benzylcarbamate;3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(trifluoromethyl)-3H-indol-2-yl]amino]-N-hydroxybenzamide;[2-oxo-2-[3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]phenyl]ethyl] N-benzylcarbamate
CID 160938704
3-[(6-chloro-3H-indol-2-yl)amino]-N-methylbenzamide
CID 157203662
N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
CID 134459699
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)-1H-indol-2-yl]amino]-N-hydroxybenzamide
CID 138488589
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
3-[(6-chloro-5-nitro-3H-indol-2-yl)amino]-N-methylbenzamide
CID 158760092
3-[[6-cyano-1-(2-methoxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 134459646
3-[[6-cyano-5-(trifluoromethyl)-3H-indol-2-yl]methyl]-N-methylbenzamide
CID 158989468

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide?
The IUPAC name of N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide (CID 157139900) is N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide.
What is the SMILES notation for N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide?
The canonical SMILES for N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide is COCc1cccc(-c2cc3c(cc2C(F)(F)F)N=C(Nc2cccc(C(=O)NO)c2)C3)c1.
What is the InChIKey of N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide?
The InChIKey is AKBNGDRWWGKOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3/c1-33-13-14-4-2-5-15(8-14)19-10-17-11-22(29-21(17)12-20(19)24(25,26)27)28-18-7-3-6-16(9-18)23(31)30-32/h2-10,12,32H,11,13H2,1H3,(H,28,29)(H,30,31).
What are the key properties of N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide?
N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide has a molecular weight of 455.44 g/mol, XLogP of 5.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[[5-[3-(methoxymethyl)phenyl]-6-(trifluoromethyl)-3H-indol-2-yl]amino]benzamide is sourced from PubChem (CID 157139900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).