2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone

C17H14ClNO2 — CID 63878855

IUPAC2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2ccc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H14ClNO2/c1-21-15-5-2-12(3-6-15)17(20)11-19-9-8-13-10-14(18)4-7-16(13)19/h2-10H,11H2,1H3
InChIKeyRREZEGMNGPPWGZ-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.19
Rot. Bonds4

About 2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone

2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone (PubChem CID 63878855) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
PubChem CID63878855
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2ccc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H14ClNO2/c1-21-15-5-2-12(3-6-15)17(20)11-19-9-8-13-10-14(18)4-7-16(13)19/h2-10H,11H2,1H3
InChIKeyRREZEGMNGPPWGZ-UHFFFAOYSA-N
XLogP4.19
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
2-(5-chloroindol-1-yl)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 63878175
1-(3-chlorophenyl)-2-(5-methylindol-1-yl)ethanone
CID 63554610
N-(5-chloro-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29131192
1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one
CID 62963387
2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62025582
2-(5-chloroindol-1-yl)-1-(furan-2-yl)ethanone
CID 63877831
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545
methyl 2-amino-3-(5-chloroindol-1-yl)propanoate
CID 68851611
2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39351923
2-(5-chloroindol-1-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 63879206

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone (CID 63878855) is 2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cn2ccc3cc(Cl)ccc32)cc1.
What is the InChIKey of 2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is RREZEGMNGPPWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-21-15-5-2-12(3-6-15)17(20)11-19-9-8-13-10-14(18)4-7-16(13)19/h2-10H,11H2,1H3.
What are the key properties of 2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone?
2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 299.76 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 63878855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).