2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide

C13H15ClN2O — CID 17339304

IUPAC2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCc1ccc2[nH]cc(CCNC(=O)CCl)c2c1
InChIInChI=1S/C13H15ClN2O/c1-9-2-3-12-11(6-9)10(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyAEPROICCKVOWDI-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.37
Rot. Bonds4

About 2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide

2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 17339304) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID17339304
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCc1ccc2[nH]cc(CCNC(=O)CCl)c2c1
InChIInChI=1S/C13H15ClN2O/c1-9-2-3-12-11(6-9)10(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyAEPROICCKVOWDI-UHFFFAOYSA-N
XLogP2.37
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylsulfanylpropanamide
CID 17272014
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734
2-ethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]hexanamide
CID 17271853
3-(5-methyl-1H-indol-3-yl)-N-(4-methylsulfanylbutyl)propanamide
CID 71925432
(E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
CID 17271955
5-chloro-2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 2988910
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-4-nitrobenzamide
CID 2038867
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide
CID 17066776
(Z)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2,3-diphenylprop-2-enamide
CID 17271930

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide (CID 17339304) is 2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide is Cc1ccc2[nH]cc(CCNC(=O)CCl)c2c1.
What is the InChIKey of 2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is AEPROICCKVOWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-2-3-12-11(6-9)10(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of 2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide?
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 250.73 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 17339304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).