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

C27H25F2N3O4 — CID 176898110

IUPAC4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
SMILESCOc1ccc2c(c1)c(CCNC(=O)Cc1ccc(F)c(F)c1)cn2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C27H25F2N3O4/c1-36-21-7-9-25-22(14-21)20(10-11-30-26(33)13-18-4-8-23(28)24(29)12-18)16-32(25)15-17-2-5-19(6-3-17)27(34)31-35/h2-9,12,14,16,35H,10-11,13,15H2,1H3,(H,30,33)(H,31,34)
InChIKeyIZRJAFLODQGXCX-UHFFFAOYSA-N
MW493.51 g/mol
LogP4.00
Rot. Bonds9

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

4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 176898110) has the molecular formula C27H25F2N3O4 and a molecular weight of 493.51 g/mol. Its IUPAC name is 4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
PubChem CID176898110
Molecular FormulaC27H25F2N3O4
Molecular Weight493.51 g/mol
Exact Mass493.18
IUPAC Name4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
SMILESCOc1ccc2c(c1)c(CCNC(=O)Cc1ccc(F)c(F)c1)cn2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C27H25F2N3O4/c1-36-21-7-9-25-22(14-21)20(10-11-30-26(33)13-18-4-8-23(28)24(29)12-18)16-32(25)15-17-2-5-19(6-3-17)27(34)31-35/h2-9,12,14,16,35H,10-11,13,15H2,1H3,(H,30,33)(H,31,34)
InChIKeyIZRJAFLODQGXCX-UHFFFAOYSA-N
XLogP4.00
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 54.00
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-(4-fluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide
CID 176898107
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
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
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899943
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 4857725
4-[[3-(2-aminoethyl)-5-[(3-methoxyphenyl)methoxy]indol-1-yl]methyl]benzoic acid
CID 70053001
N-hydroxy-4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]benzamide
CID 90480233
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-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide (CID 176898110) is 4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide is COc1ccc2c(c1)c(CCNC(=O)Cc1ccc(F)c(F)c1)cn2Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is IZRJAFLODQGXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O4/c1-36-21-7-9-25-22(14-21)20(10-11-30-26(33)13-18-4-8-23(28)24(29)12-18)16-32(25)15-17-2-5-19(6-3-17)27(34)31-35/h2-9,12,14,16,35H,10-11,13,15H2,1H3,(H,30,33)(H,31,34).
What are the key properties of 4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide?
4-[[3-[2-[[2-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 493.51 g/mol, XLogP of 4.00, 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-(3,4-difluorophenyl)acetyl]amino]ethyl]-5-methoxyindol-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 176898110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).