1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone

C17H16ClNO2 — CID 43228016

IUPAC1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCc3ccccc32)cc1Cl
InChIInChI=1S/C17H16ClNO2/c1-21-17-7-6-13(10-14(17)18)16(20)11-19-9-8-12-4-2-3-5-15(12)19/h2-7,10H,8-9,11H2,1H3
InChIKeySLNAOEYIQURBKC-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.59
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone

1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 43228016) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone
PubChem CID43228016
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCc3ccccc32)cc1Cl
InChIInChI=1S/C17H16ClNO2/c1-21-17-7-6-13(10-14(17)18)16(20)11-19-9-8-12-4-2-3-5-15(12)19/h2-7,10H,8-9,11H2,1H3
InChIKeySLNAOEYIQURBKC-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroindol-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43228012
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 22199888
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione
CID 62928596
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43227216
1-(2-chloro-5-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 82050609
2-(2,3-dihydroindol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 8704444
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
1-[4-[(2R)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 94488286
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
N-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034841

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone (CID 43228016) is 1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone is COc1ccc(C(=O)CN2CCc3ccccc32)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is SLNAOEYIQURBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-21-17-7-6-13(10-14(17)18)16(20)11-19-9-8-12-4-2-3-5-15(12)19/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone?
1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 301.77 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 43228016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).