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

C27H26FN3O4 — CID 176898107

IUPAC4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
SMILESCOc1ccc2c(c1)c(CCNC(=O)Cc1ccc(F)cc1)cn2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C27H26FN3O4/c1-35-23-10-11-25-24(15-23)21(12-13-29-26(32)14-18-4-8-22(28)9-5-18)17-31(25)16-19-2-6-20(7-3-19)27(33)30-34/h2-11,15,17,34H,12-14,16H2,1H3,(H,29,32)(H,30,33)
InChIKeyZPZJHXGRZIJOSB-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.86
Rot. Bonds9

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

4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 176898107) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is 4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
PubChem CID176898107
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC Name4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
SMILESCOc1ccc2c(c1)c(CCNC(=O)Cc1ccc(F)cc1)cn2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C27H26FN3O4/c1-35-23-10-11-25-24(15-23)21(12-13-29-26(32)14-18-4-8-22(28)9-5-18)17-31(25)16-19-2-6-20(7-3-19)27(33)30-34/h2-11,15,17,34H,12-14,16H2,1H3,(H,29,32)(H,30,33)
InChIKeyZPZJHXGRZIJOSB-UHFFFAOYSA-N
XLogP3.86
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.86
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-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898110
4-[[3-[2-(butanoylamino)ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898096
4-[[3-[2-[(4-bromobenzoyl)amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898106
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899943
4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide
CID 176898102
1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
CID 11580237
N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
CID 10926166
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 4857725
4-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)butanamide
CID 22522977
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide (CID 176898107) is 4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide is COc1ccc2c(c1)c(CCNC(=O)Cc1ccc(F)cc1)cn2Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is ZPZJHXGRZIJOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c1-35-23-10-11-25-24(15-23)21(12-13-29-26(32)14-18-4-8-22(28)9-5-18)17-31(25)16-19-2-6-20(7-3-19)27(33)30-34/h2-11,15,17,34H,12-14,16H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 475.52 g/mol, XLogP of 3.86, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 176898107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).