5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide

C22H17ClF4N2O2 — CID 154659082

IUPAC5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCCc1cc(F)ccc1Cc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1
InChIInChI=1S/C22H17ClF4N2O2/c1-2-12-8-15(24)4-3-13(12)7-14-9-18(22(25,26)27)19(23)11-17(14)21(31)29-16-5-6-28-20(30)10-16/h3-6,8-11H,2,7H2,1H3,(H2,28,29,30,31)
InChIKeyPKOPCIQCFGVJPN-UHFFFAOYSA-N
MW452.84 g/mol
LogP5.59
Rot. Bonds5

About 5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide

5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 154659082) has the molecular formula C22H17ClF4N2O2 and a molecular weight of 452.84 g/mol. Its IUPAC name is 5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID154659082
Molecular FormulaC22H17ClF4N2O2
Molecular Weight452.84 g/mol
Exact Mass452.09
IUPAC Name5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCCc1cc(F)ccc1Cc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1
InChIInChI=1S/C22H17ClF4N2O2/c1-2-12-8-15(24)4-3-13(12)7-14-9-18(22(25,26)27)19(23)11-17(14)21(31)29-16-5-6-28-20(30)10-16/h3-6,8-11H,2,7H2,1H3,(H2,28,29,30,31)
InChIKeyPKOPCIQCFGVJPN-UHFFFAOYSA-N
XLogP5.59
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.84
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[[4-fluoro-2-(trideuteriomethoxy)phenyl]methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 166071798
5-chloro-2-(4-fluoro-2-propan-2-ylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 177358502
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
2-fluoro-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide;hydrobromide
CID 118126608
2-[2-(3-amino-3-oxopropyl)-4-fluorophenoxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 175359905
2-[4-fluoro-2-[3-(methylamino)propoxy]phenoxy]-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 177357924
5-fluoro-N-(2-oxo-1H-pyridin-4-yl)-2-(4-propan-2-ylphenoxy)benzamide
CID 78320582
2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
CID 78323102
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110427041
N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16776516
N-(2-oxo-1H-pyridin-4-yl)-2-(4-propoxyphenoxy)-5-(trifluoromethyl)benzamide
CID 78323101
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide (CID 154659082) is 5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide is CCc1cc(F)ccc1Cc1cc(C(F)(F)F)c(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1.
What is the InChIKey of 5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is PKOPCIQCFGVJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF4N2O2/c1-2-12-8-15(24)4-3-13(12)7-14-9-18(22(25,26)27)19(23)11-17(14)21(31)29-16-5-6-28-20(30)10-16/h3-6,8-11H,2,7H2,1H3,(H2,28,29,30,31).
What are the key properties of 5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide?
5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 452.84 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 154659082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).