3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C23H16ClF3N2O2 — CID 2441645

IUPAC3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCn1c(-c2ccccc2)c(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c2ccccc21
InChIInChI=1S/C23H16ClF3N2O2/c1-28-18-10-6-5-9-16(18)20(21(28)14-7-3-2-4-8-14)19(30)13-29-12-15(23(25,26)27)11-17(24)22(29)31/h2-12H,13H2,1H3
InChIKeyCOZHQBMACACMIW-UHFFFAOYSA-N
MW444.84 g/mol
LogP5.56
Rot. Bonds4

About 3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 2441645) has the molecular formula C23H16ClF3N2O2 and a molecular weight of 444.84 g/mol. Its IUPAC name is 3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID2441645
Molecular FormulaC23H16ClF3N2O2
Molecular Weight444.84 g/mol
Exact Mass444.09
IUPAC Name3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCn1c(-c2ccccc2)c(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c2ccccc21
InChIInChI=1S/C23H16ClF3N2O2/c1-28-18-10-6-5-9-16(18)20(21(28)14-7-3-2-4-8-14)19(30)13-29-12-15(23(25,26)27)11-17(24)22(29)31/h2-12H,13H2,1H3
InChIKeyCOZHQBMACACMIW-UHFFFAOYSA-N
XLogP5.56
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.84
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 8894290
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-naphthalen-1-ylacetamide
CID 2097457
(2-chlorophenyl)-(1-methyl-2-phenylindol-3-yl)methanone
CID 154119569
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
N-(benzylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 5181987
N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide
CID 55304749
3-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-7-nitroquinazolin-4-one
CID 5204585
N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2587466
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide
CID 2100498
3-chloro-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 2466646
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 47015092
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-iodophenyl)acetamide
CID 16574639

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 2441645) is 3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is Cn1c(-c2ccccc2)c(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c2ccccc21.
What is the InChIKey of 3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is COZHQBMACACMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N2O2/c1-28-18-10-6-5-9-16(18)20(21(28)14-7-3-2-4-8-14)19(30)13-29-12-15(23(25,26)27)11-17(24)22(29)31/h2-12H,13H2,1H3.
What are the key properties of 3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 444.84 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 2441645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).