(5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone

C17H14ClNO2 — CID 171346224

IUPAC(5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2c(C)cc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H14ClNO2/c1-11-9-13-10-14(18)5-8-16(13)19(11)17(20)12-3-6-15(21-2)7-4-12/h3-10H,1-2H3
InChIKeyQRNXCXNJRQTIAH-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.30
Rot. Bonds2

About (5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone

(5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 171346224) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone
PubChem CID171346224
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2c(C)cc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H14ClNO2/c1-11-9-13-10-14(18)5-8-16(13)19(11)17(20)12-3-6-15(21-2)7-4-12/h3-10H,1-2H3
InChIKeyQRNXCXNJRQTIAH-UHFFFAOYSA-N
XLogP4.30
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Indomethacin
CID 3715
Ethyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
CID 27861
Methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
CID 15339
Indomethacin Sodium
CID 23675763
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetamide
CID 22633
Indomethacin analog 1
CID 11394647
4-[[1-(4-Chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one
CID 138115373
3-[1-(4-Chlorobenzoyl)-5-methoxy-3-methylindol-2-yl]propanoic acid
CID 57563344
3-[1-(4-Chlorobenzoyl)-3-ethyl-5-methoxyindol-2-yl]propanoic acid
CID 71523636
[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-acetic acid pentyl ester
CID 10693792
Indomethacin octyl ester
CID 182489
[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-acetic acid butyl ester
CID 10476854

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone (CID 171346224) is (5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2c(C)cc3cc(Cl)ccc32)cc1.
What is the InChIKey of (5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is QRNXCXNJRQTIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-11-9-13-10-14(18)5-8-16(13)19(11)17(20)12-3-6-15(21-2)7-4-12/h3-10H,1-2H3.
What are the key properties of (5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone?
(5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 299.76 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylindol-1-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 171346224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).