(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone

C19H18ClNO2 — CID 15320026

IUPAC(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
SMILESCCc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
InChIInChI=1S/C19H18ClNO2/c1-4-16-12(2)21(18-10-9-15(23-3)11-17(16)18)19(22)13-5-7-14(20)8-6-13/h5-11H,4H2,1-3H3
InChIKeySFWPKKAWFSDSPB-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.86
Rot. Bonds3

About (4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone

(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone (PubChem CID 15320026) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
PubChem CID15320026
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
SMILESCCc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
InChIInChI=1S/C19H18ClNO2/c1-4-16-12(2)21(18-10-9-15(23-3)11-17(16)18)19(22)13-5-7-14(20)8-6-13/h5-11H,4H2,1-3H3
InChIKeySFWPKKAWFSDSPB-UHFFFAOYSA-N
XLogP4.86
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
potassium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrate
CID 70587994
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
(4-chlorophenyl)-[3-(2,3-dihydroxypropyl)-5-methoxy-2-methylindol-1-yl]methanone
CID 154158103
azane;bis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate);platinum(4+);dichloride
CID 86298531
1-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]methyl]-1-hydroxy-3-methylurea
CID 15027397
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 7935529
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;N,N-dimethylacetamide
CID 70378051
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethylcarbamic acid
CID 66813186
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 24825528
S-(2,5-dichlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]ethanethioate
CID 22765709

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone (CID 15320026) is (4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone is CCc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12.
What is the InChIKey of (4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone?
The InChIKey is SFWPKKAWFSDSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-4-16-12(2)21(18-10-9-15(23-3)11-17(16)18)19(22)13-5-7-14(20)8-6-13/h5-11H,4H2,1-3H3.
What are the key properties of (4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone?
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone has a molecular weight of 327.81 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone is sourced from PubChem (CID 15320026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).