N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide

C21H23ClN2O2 — CID 113210204

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
SMILESCOc1ccc2[nH]cc(C(C)(C)C(=O)NCCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C21H23ClN2O2/c1-21(2,18-13-24-19-8-7-16(26-3)12-17(18)19)20(25)23-10-9-14-5-4-6-15(22)11-14/h4-8,11-13,24H,9-10H2,1-3H3,(H,23,25)
InChIKeyLIYQRHJAFDPJEM-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.47
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide

N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide (PubChem CID 113210204) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
PubChem CID113210204
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
SMILESCOc1ccc2[nH]cc(C(C)(C)C(=O)NCCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C21H23ClN2O2/c1-21(2,18-13-24-19-8-7-16(26-3)12-17(18)19)20(25)23-10-9-14-5-4-6-15(22)11-14/h4-8,11-13,24H,9-10H2,1-3H3,(H,23,25)
InChIKeyLIYQRHJAFDPJEM-UHFFFAOYSA-N
XLogP4.47
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113210171
N-[3-(dimethylamino)propyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210143
2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733787
N-(5-chloro-2-methoxyphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210235
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 113210095
2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 113210043
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210161
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
2-(6-chloro-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113209744
N-cyclopentyl-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210132
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210255
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide (CID 113210204) is N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide is COc1ccc2[nH]cc(C(C)(C)C(=O)NCCc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is LIYQRHJAFDPJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-21(2,18-13-24-19-8-7-16(26-3)12-17(18)19)20(25)23-10-9-14-5-4-6-15(22)11-14/h4-8,11-13,24H,9-10H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide?
N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 370.88 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 113210204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).