4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide

C26H24BrN3O4 — CID 176898106

IUPAC4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
SMILESCOc1ccc2c(c1)c(CCNC(=O)c1ccc(Br)cc1)cn2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C26H24BrN3O4/c1-34-22-10-11-24-23(14-22)20(12-13-28-25(31)18-6-8-21(27)9-7-18)16-30(24)15-17-2-4-19(5-3-17)26(32)29-33/h2-11,14,16,33H,12-13,15H2,1H3,(H,28,31)(H,29,32)
InChIKeyJSPWBNRQGFKZQA-UHFFFAOYSA-N
MW522.40 g/mol
LogP4.55
Rot. Bonds8

About 4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide

4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 176898106) has the molecular formula C26H24BrN3O4 and a molecular weight of 522.40 g/mol. Its IUPAC name is 4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
PubChem CID176898106
Molecular FormulaC26H24BrN3O4
Molecular Weight522.40 g/mol
Exact Mass521.10
IUPAC Name4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
SMILESCOc1ccc2c(c1)c(CCNC(=O)c1ccc(Br)cc1)cn2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C26H24BrN3O4/c1-34-22-10-11-24-23(14-22)20(12-13-28-25(31)18-6-8-21(27)9-7-18)16-30(24)15-17-2-4-19(5-3-17)26(32)29-33/h2-11,14,16,33H,12-13,15H2,1H3,(H,28,31)(H,29,32)
InChIKeyJSPWBNRQGFKZQA-UHFFFAOYSA-N
XLogP4.55
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.40
LogP ≤ 54.55
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

4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898096
4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898107
4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898110
4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide
CID 176898102
N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
CID 10926166
4-bromo-N-[3-[(6-methoxynaphthalen-2-yl)methylamino]-3-oxopropyl]benzamide
CID 41286081
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
2-[1-[(4-bromophenyl)methyl]-5-prop-2-enoxyindol-3-yl]-N-butylacetamide
CID 101490756
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899943
N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide
CID 24753808
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide (CID 176898106) is 4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide is COc1ccc2c(c1)c(CCNC(=O)c1ccc(Br)cc1)cn2Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is JSPWBNRQGFKZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN3O4/c1-34-22-10-11-24-23(14-22)20(12-13-28-25(31)18-6-8-21(27)9-7-18)16-30(24)15-17-2-4-19(5-3-17)26(32)29-33/h2-11,14,16,33H,12-13,15H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 522.40 g/mol, XLogP of 4.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 176898106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).