potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride

C19H17ClKNO4 — CID 173442022

IUPACpotassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride
SMILESCOc1ccc2c(c1)c(OC(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1.[H-].[K+]
InChIInChI=1S/C19H16ClNO4.K.H/c1-11-18(25-12(2)22)16-10-15(24-3)8-9-17(16)21(11)19(23)13-4-6-14(20)7-5-13;;/h4-10H,1-3H3;;/q;+1;-1
InChIKeyUMWRFRPOHKBUAY-UHFFFAOYSA-N
MW397.90 g/mol
LogP1.34
Rot. Bonds3

About potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride

potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride (PubChem CID 173442022) has the molecular formula C19H17ClKNO4 and a molecular weight of 397.90 g/mol. Its IUPAC name is potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride.

Molecular Properties

Compound Namepotassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride
PubChem CID173442022
Molecular FormulaC19H17ClKNO4
Molecular Weight397.90 g/mol
Exact Mass397.05
IUPAC Namepotassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride
SMILESCOc1ccc2c(c1)c(OC(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1.[H-].[K+]
InChIInChI=1S/C19H16ClNO4.K.H/c1-11-18(25-12(2)22)16-10-15(24-3)8-9-17(16)21(11)19(23)13-4-6-14(20)7-5-13;;/h4-10H,1-3H3;;/q;+1;-1
InChIKeyUMWRFRPOHKBUAY-UHFFFAOYSA-N
XLogP1.34
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
(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
[2-amino-1-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-oxoethyl] acetate
CID 57252388
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid;N,N-dimethylacetamide
CID 70378051
(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
N-(4-acetamidophenyl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 4090966
benzyl 1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-carboxylate
CID 154136063
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319

Frequently Asked Questions

What is the IUPAC name of potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride?
The IUPAC name of potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride (CID 173442022) is potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride.
What is the SMILES notation for potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride?
The canonical SMILES for potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride is COc1ccc2c(c1)c(OC(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1.[H-].[K+].
What is the InChIKey of potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride?
The InChIKey is UMWRFRPOHKBUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4.K.H/c1-11-18(25-12(2)22)16-10-15(24-3)8-9-17(16)21(11)19(23)13-4-6-14(20)7-5-13;;/h4-10H,1-3H3;;/q;+1;-1.
What are the key properties of potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride?
potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride has a molecular weight of 397.90 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl] acetate;hydride is sourced from PubChem (CID 173442022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).