3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide

C24H28ClN3O3 — CID 58614236

IUPAC3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide
SMILESO=C(CCc1cc2c(cc1Cl)C(N(CCO)CCc1c[nH]c3ccccc13)CC2)NO
InChIInChI=1S/C24H28ClN3O3/c25-21-14-20-16(13-17(21)6-8-24(30)27-31)5-7-23(20)28(11-12-29)10-9-18-15-26-22-4-2-1-3-19(18)22/h1-4,13-15,23,26,29,31H,5-12H2,(H,27,30)
InChIKeyHLWGGZIZYVVTIW-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.78
Rot. Bonds9

About 3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide

3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide (PubChem CID 58614236) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide
PubChem CID58614236
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide
SMILESO=C(CCc1cc2c(cc1Cl)C(N(CCO)CCc1c[nH]c3ccccc13)CC2)NO
InChIInChI=1S/C24H28ClN3O3/c25-21-14-20-16(13-17(21)6-8-24(30)27-31)5-7-23(20)28(11-12-29)10-9-18-15-26-22-4-2-1-3-19(18)22/h1-4,13-15,23,26,29,31H,5-12H2,(H,27,30)
InChIKeyHLWGGZIZYVVTIW-UHFFFAOYSA-N
XLogP3.78
TPSA88.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[6-cyano-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58613703
N-hydroxy-3-[1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-6-nitro-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838584
3-[1-[(5-chloro-1H-pyrrol-2-yl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838620
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
(E)-N-hydroxy-3-[1-[2-(2-hydroxyethoxy)ethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614458
(E)-N-hydroxy-3-[(1R)-1-[(4-hydroxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 87922900
N-hydroxy-3-[1-[(2-hydroxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838938
N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838719
N-hydroxy-3-[1-[(2-hydroxy-2-methylpropyl)-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838702
N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838721
(E)-3-[1-[(4-chloro-2-methyl-1H-pyrazol-2-ium-5-yl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58614055
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-(3-morpholin-4-yl-3-oxopropyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613819

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide (CID 58614236) is 3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide is O=C(CCc1cc2c(cc1Cl)C(N(CCO)CCc1c[nH]c3ccccc13)CC2)NO.
What is the InChIKey of 3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide?
The InChIKey is HLWGGZIZYVVTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c25-21-14-20-16(13-17(21)6-8-24(30)27-31)5-7-23(20)28(11-12-29)10-9-18-15-26-22-4-2-1-3-19(18)22/h1-4,13-15,23,26,29,31H,5-12H2,(H,27,30).
What are the key properties of 3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide?
3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide has a molecular weight of 441.96 g/mol, XLogP of 3.78, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-1-[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxypropanamide is sourced from PubChem (CID 58614236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).