N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide

C14H19ClN2O2 — CID 69167635

IUPACN-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(C)=O)C(C)(Cl)N2
InChIInChI=1S/C14H19ClN2O2/c1-9(18)16-7-6-12-11-8-10(19-3)4-5-13(11)17-14(12,2)15/h4-5,8,12,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyBODGZXOMKRJJDX-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide

N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide (PubChem CID 69167635) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide
PubChem CID69167635
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(C)=O)C(C)(Cl)N2
InChIInChI=1S/C14H19ClN2O2/c1-9(18)16-7-6-12-11-8-10(19-3)4-5-13(11)17-14(12,2)15/h4-5,8,12,17H,6-7H2,1-3H3,(H,16,18)
InChIKeyBODGZXOMKRJJDX-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2,3-dihydro-1H-indole
CID 10701974
n,n-Dimethyl 2-(5-methoxy-2,3-dihydro-1h-indol-3-yl)ethylamine
CID 11806221
[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;dihydrochloride
CID 71535147
2-Oxomelatonin
CID 9859734
N-(5-methoxy-2-oxo-1-propyl-3H-indol-3-yl)acetamide
CID 665380
[3-[2-(dimethylamino)ethyl]-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate;hydrochloride
CID 90656344
3-(2-Aminoethyl)-5-methoxy-1,3-dimethyl-2-indolone
CID 605729
1-acetyl-5-(methyloxy)-2,3-dihydro-1H-indole
CID 12626091
N-(1-ethyl-5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 665358
benzyl (4aS,9bR)-8-methoxy-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate
CID 11964544
benzyl (4aS,9bR)-8-methoxy-6-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate
CID 44409466
tert-butyl (4aS,9bR)-8-methoxy-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate
CID 44409532

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide (CID 69167635) is N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide is COc1ccc2c(c1)C(CCNC(C)=O)C(C)(Cl)N2.
What is the InChIKey of N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide?
The InChIKey is BODGZXOMKRJJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9(18)16-7-6-12-11-8-10(19-3)4-5-13(11)17-14(12,2)15/h4-5,8,12,17H,6-7H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide?
N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide has a molecular weight of 282.77 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-methoxy-2-methyl-1,3-dihydroindol-3-yl)ethyl]acetamide is sourced from PubChem (CID 69167635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).