3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

C23H24ClN3O2 — CID 76838127

IUPAC3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESCN(CCc1c[nH]c2cc(Cl)ccc12)C1CCc2cc(C=CC(=O)NO)ccc21
InChIInChI=1S/C23H24ClN3O2/c1-27(11-10-17-14-25-21-13-18(24)5-7-19(17)21)22-8-4-16-12-15(2-6-20(16)22)3-9-23(28)26-29/h2-3,5-7,9,12-14,22,25,29H,4,8,10-11H2,1H3,(H,26,28)
InChIKeyRLTYQSHBNJYYGX-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.50
Rot. Bonds6

About 3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 76838127) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
PubChem CID76838127
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESCN(CCc1c[nH]c2cc(Cl)ccc12)C1CCc2cc(C=CC(=O)NO)ccc21
InChIInChI=1S/C23H24ClN3O2/c1-27(11-10-17-14-25-21-13-18(24)5-7-19(17)21)22-8-4-16-12-15(2-6-20(16)22)3-9-23(28)26-29/h2-3,5-7,9,12-14,22,25,29H,4,8,10-11H2,1H3,(H,26,28)
InChIKeyRLTYQSHBNJYYGX-UHFFFAOYSA-N
XLogP4.50
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838728
3-[1-[(5-chloro-3,4-dimethyl-1H-pyrrol-2-yl)methyl-[2-(6-methyl-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838077
3-[1-[ethyl-[2-(6-methoxy-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838015
(E)-N-hydroxy-3-[(1R)-1-[2-hydroxyethyl-[2-(6-methoxy-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 87922978
(E)-3-[1-[(5-chloro-3,4-dimethyl-1H-pyrrol-2-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58613851
(E)-3-[1-[(3,4-dichloro-1H-pyrrol-2-yl)methyl-[2-(6-fluoro-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58613720
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
3-[1-[(4,5-dichloro-1H-pyrrol-2-yl)methyl-[2-(6-methoxy-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838169
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-[1-[(2-hydroxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838938
N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2,3-dihydro-1H-inden-1-yl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 58614448

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (CID 76838127) is 3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is CN(CCc1c[nH]c2cc(Cl)ccc12)C1CCc2cc(C=CC(=O)NO)ccc21.
What is the InChIKey of 3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is RLTYQSHBNJYYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-27(11-10-17-14-25-21-13-18(24)5-7-19(17)21)22-8-4-16-12-15(2-6-20(16)22)3-9-23(28)26-29/h2-3,5-7,9,12-14,22,25,29H,4,8,10-11H2,1H3,(H,26,28).
What are the key properties of 3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 409.92 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(6-chloro-1H-indol-3-yl)ethyl-methylamino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 76838127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).