3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide

C20H21ClN2O2 — CID 55912370

IUPAC3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1c(Cl)c2ccccc2n1C
InChIInChI=1S/C20H21ClN2O2/c1-13(14-9-6-8-12-17(14)25-4)22(2)20(24)19-18(21)15-10-5-7-11-16(15)23(19)3/h5-13H,1-4H3
InChIKeyJJQDDKNXLVXSBG-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.67
Rot. Bonds4

About 3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide

3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide (PubChem CID 55912370) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide
PubChem CID55912370
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1c(Cl)c2ccccc2n1C
InChIInChI=1S/C20H21ClN2O2/c1-13(14-9-6-8-12-17(14)25-4)22(2)20(24)19-18(21)15-10-5-7-11-16(15)23(19)3/h5-13H,1-4H3
InChIKeyJJQDDKNXLVXSBG-UHFFFAOYSA-N
XLogP4.67
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
4-(benzotriazol-1-ylmethyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 43060750
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 95226525
2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55593721
3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide
CID 110900786
2,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 74627130
4,5-dibromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 51935853
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134054462
3,4,5-trimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-nitrobenzamide
CID 55588364
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103889671
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N,5-dimethyl-1-pentan-3-ylpyrazole-4-carboxamide
CID 97096032

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide (CID 55912370) is 3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide is COc1ccccc1C(C)N(C)C(=O)c1c(Cl)c2ccccc2n1C.
What is the InChIKey of 3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide?
The InChIKey is JJQDDKNXLVXSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13(14-9-6-8-12-17(14)25-4)22(2)20(24)19-18(21)15-10-5-7-11-16(15)23(19)3/h5-13H,1-4H3.
What are the key properties of 3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide?
3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-methoxyphenyl)ethyl]-N,1-dimethylindole-2-carboxamide is sourced from PubChem (CID 55912370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).