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

C20H21ClN2O3 — CID 58946204

IUPACN-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(-c3cc(Cl)ccc3OC)c(CCNC(C)=O)c2c1
InChIInChI=1S/C20H21ClN2O3/c1-12(24)22-9-8-15-16-11-14(25-2)5-6-18(16)23-20(15)17-10-13(21)4-7-19(17)26-3/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,24)
InChIKeyYPVOIBBQFMVMAG-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.18
Rot. Bonds6

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

N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide (PubChem CID 58946204) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
PubChem CID58946204
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(-c3cc(Cl)ccc3OC)c(CCNC(C)=O)c2c1
InChIInChI=1S/C20H21ClN2O3/c1-12(24)22-9-8-15-16-11-14(25-2)5-6-18(16)23-20(15)17-10-13(21)4-7-19(17)26-3/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,24)
InChIKeyYPVOIBBQFMVMAG-UHFFFAOYSA-N
XLogP4.18
TPSA63.35 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 ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-[3-chloro-2-(iodomethyl)phenyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 89340135
N-[2-[2-(furan-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946209
N-[2-[2-[(4-chloro-N-methylanilino)methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 45269183
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide
CID 58946267
2-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]acetic acid
CID 4645813
N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946255
2-[5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3537628
N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
CID 68726769
4-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3539638
N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 162686350
N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide
CID 146163548

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide (CID 58946204) is N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide is COc1ccc2[nH]c(-c3cc(Cl)ccc3OC)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is YPVOIBBQFMVMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-12(24)22-9-8-15-16-11-14(25-2)5-6-18(16)23-20(15)17-10-13(21)4-7-19(17)26-3/h4-7,10-11,23H,8-9H2,1-3H3,(H,22,24).
What are the key properties of N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide?
N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 372.85 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 58946204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).