2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide

C20H21ClN2O3 — CID 110629562

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1cccc(C(O)CN(C)C(=O)Cc2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C20H21ClN2O3/c1-23(12-19(24)13-4-3-5-16(8-13)26-2)20(25)9-14-11-22-18-7-6-15(21)10-17(14)18/h3-8,10-11,19,22,24H,9,12H2,1-2H3
InChIKeyRHPZAHOGMGIMAZ-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.56
Rot. Bonds6

About 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide

2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 110629562) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
PubChem CID110629562
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1cccc(C(O)CN(C)C(=O)Cc2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C20H21ClN2O3/c1-23(12-19(24)13-4-3-5-16(8-13)26-2)20(25)9-14-11-22-18-7-6-15(21)10-17(14)18/h3-8,10-11,19,22,24H,9,12H2,1-2H3
InChIKeyRHPZAHOGMGIMAZ-UHFFFAOYSA-N
XLogP3.56
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 110629514
N-butyl-2-(5-chloro-1H-indol-3-yl)-N-methylacetamide
CID 110415872
(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78874182
2-(5-chloro-1H-indol-3-yl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
CID 99702664
2-(5-methoxy-1H-indol-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 78872752
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110411692
1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78873695
N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712
N-[2-(tert-butylamino)-2-oxoethyl]-2-(5-methoxy-1H-indol-3-yl)-N-methylacetamide
CID 86985649
2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
CID 110611810

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide (CID 110629562) is 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide is COc1cccc(C(O)CN(C)C(=O)Cc2c[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is RHPZAHOGMGIMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-23(12-19(24)13-4-3-5-16(8-13)26-2)20(25)9-14-11-22-18-7-6-15(21)10-17(14)18/h3-8,10-11,19,22,24H,9,12H2,1-2H3.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide?
2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 372.85 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 110629562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).