N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide

C13H15ClN2O3 — CID 171518937

IUPACN-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2cc(Cl)c(OCCO)cc2[nH]1
InChIInChI=1S/C13H15ClN2O3/c1-8(18)15-7-10-4-9-5-11(14)13(19-3-2-17)6-12(9)16-10/h4-6,16-17H,2-3,7H2,1H3,(H,15,18)
InChIKeyKJUQNCIMPPVQDS-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.83
Rot. Bonds5

About N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide

N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide (PubChem CID 171518937) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide
PubChem CID171518937
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2cc(Cl)c(OCCO)cc2[nH]1
InChIInChI=1S/C13H15ClN2O3/c1-8(18)15-7-10-4-9-5-11(14)13(19-3-2-17)6-12(9)16-10/h4-6,16-17H,2-3,7H2,1H3,(H,15,18)
InChIKeyKJUQNCIMPPVQDS-UHFFFAOYSA-N
XLogP1.83
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
CID 171518561
N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518927
N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519626
(2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxybutanamide
CID 171518498
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519375
(2S)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclobutane-1-carboxamide
CID 171731902
N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518747
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide
CID 171731951
N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide
CID 171518390
trans-(1R,2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 171519496
N-[[5-chloro-6-[[(2S)-1,4-dioxan-2-yl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519743

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide (CID 171518937) is N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide is CC(=O)NCc1cc2cc(Cl)c(OCCO)cc2[nH]1.
What is the InChIKey of N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide?
The InChIKey is KJUQNCIMPPVQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-8(18)15-7-10-4-9-5-11(14)13(19-3-2-17)6-12(9)16-10/h4-6,16-17H,2-3,7H2,1H3,(H,15,18).
What are the key properties of N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide?
N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide has a molecular weight of 282.73 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide is sourced from PubChem (CID 171518937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).