2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide

C23H18ClF3N4O2 — CID 31905625

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide
SMILESN#Cc1c2c(n(-c3ccccc3)c1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)CCCC2
InChIInChI=1S/C23H18ClF3N4O2/c24-18-10-14(23(25,26)27)12-30(22(18)33)13-20(32)29-21-17(11-28)16-8-4-5-9-19(16)31(21)15-6-2-1-3-7-15/h1-3,6-7,10,12H,4-5,8-9,13H2,(H,29,32)
InChIKeyNGWSJNVILSFZOG-UHFFFAOYSA-N
MW474.87 g/mol
LogP4.70
Rot. Bonds4

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide (PubChem CID 31905625) has the molecular formula C23H18ClF3N4O2 and a molecular weight of 474.87 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide
PubChem CID31905625
Molecular FormulaC23H18ClF3N4O2
Molecular Weight474.87 g/mol
Exact Mass474.11
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide
SMILESN#Cc1c2c(n(-c3ccccc3)c1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)CCCC2
InChIInChI=1S/C23H18ClF3N4O2/c24-18-10-14(23(25,26)27)12-30(22(18)33)13-20(32)29-21-17(11-28)16-8-4-5-9-19(16)31(21)15-6-2-1-3-7-15/h1-3,6-7,10,12H,4-5,8-9,13H2,(H,29,32)
InChIKeyNGWSJNVILSFZOG-UHFFFAOYSA-N
XLogP4.70
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.87
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 39537783
N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-thiomorpholin-4-ylacetamide
CID 56524906
N-[1-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 36945713
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide
CID 2100498
N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 55680231
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-iodophenyl)acetamide
CID 16574639
2-[[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 36951138
2-[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 42957450
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-naphthalen-1-ylacetamide
CID 2097457
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 4843275
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096913

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide (CID 31905625) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide is N#Cc1c2c(n(-c3ccccc3)c1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)CCCC2.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide?
The InChIKey is NGWSJNVILSFZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N4O2/c24-18-10-14(23(25,26)27)12-30(22(18)33)13-20(32)29-21-17(11-28)16-8-4-5-9-19(16)31(21)15-6-2-1-3-7-15/h1-3,6-7,10,12H,4-5,8-9,13H2,(H,29,32).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide has a molecular weight of 474.87 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide is sourced from PubChem (CID 31905625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).