2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide

C22H20ClF3N2O3 — CID 69488215

IUPAC2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide
SMILESCCNC(=O)Cc1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2cc(Cl)c(OC)cc12
InChIInChI=1S/C22H20ClF3N2O3/c1-4-27-20(29)10-15-12(2)28(18-11-17(23)19(31-3)9-16(15)18)21(30)13-5-7-14(8-6-13)22(24,25)26/h5-9,11H,4,10H2,1-3H3,(H,27,29)
InChIKeyOIVMRLWDHLDEBQ-UHFFFAOYSA-N
MW452.86 g/mol
LogP5.00
Rot. Bonds5

About 2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide

2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide (PubChem CID 69488215) has the molecular formula C22H20ClF3N2O3 and a molecular weight of 452.86 g/mol. Its IUPAC name is 2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide
PubChem CID69488215
Molecular FormulaC22H20ClF3N2O3
Molecular Weight452.86 g/mol
Exact Mass452.11
IUPAC Name2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide
SMILESCCNC(=O)Cc1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2cc(Cl)c(OC)cc12
InChIInChI=1S/C22H20ClF3N2O3/c1-4-27-20(29)10-15-12(2)28(18-11-17(23)19(31-3)9-16(15)18)21(30)13-5-7-14(8-6-13)22(24,25)26/h5-9,11H,4,10H2,1-3H3,(H,27,29)
InChIKeyOIVMRLWDHLDEBQ-UHFFFAOYSA-N
XLogP5.00
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.86
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetamide
CID 69487191
methyl 2-[6-chloro-5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetate
CID 91081498
2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid
CID 18453961
N-butan-2-yl-2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 69486050
2-[[2-[6-chloro-1-(4-fluorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]propanoic acid
CID 69485542
2-[[2-[6-chloro-1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]propanoic acid
CID 69485462
2-[6-chloro-1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453578
2-[6-chloro-5-methoxy-2-methyl-1-[5-(trifluoromethoxy)thiophene-3-carbonyl]indol-3-yl]acetic acid
CID 11554156
2-[6-chloro-1-[5-(difluoromethyl)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453679
2-[6-chloro-1-(5-fluorothiophene-3-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 18453737
N-butan-2-yl-2-[6-chloro-5-methoxy-2-methyl-1-(4-methylbenzenecarbothioyl)indol-3-yl]acetamide
CID 87854240
2-[6-chloro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide
CID 69485753

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide?
The IUPAC name of 2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide (CID 69488215) is 2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide?
The canonical SMILES for 2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide is CCNC(=O)Cc1c(C)n(C(=O)c2ccc(C(F)(F)F)cc2)c2cc(Cl)c(OC)cc12.
What is the InChIKey of 2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide?
The InChIKey is OIVMRLWDHLDEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2O3/c1-4-27-20(29)10-15-12(2)28(18-11-17(23)19(31-3)9-16(15)18)21(30)13-5-7-14(8-6-13)22(24,25)26/h5-9,11H,4,10H2,1-3H3,(H,27,29).
What are the key properties of 2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide?
2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide has a molecular weight of 452.86 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-methoxy-2-methyl-1-[4-(trifluoromethyl)benzoyl]indol-3-yl]-N-ethylacetamide is sourced from PubChem (CID 69488215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).