N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide

C24H22ClF3N2O2 — CID 118038693

IUPACN-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(=O)[nH]2)c1
InChIInChI=1S/C24H22ClF3N2O2/c1-23(2,3)22(32)29-13-14-4-9-19(25)18(10-14)20-11-16(12-21(31)30-20)15-5-7-17(8-6-15)24(26,27)28/h4-12H,13H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyYIGXDWFXBZSWNM-UHFFFAOYSA-N
MW462.90 g/mol
LogP6.04
Rot. Bonds4

About N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide

N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 118038693) has the molecular formula C24H22ClF3N2O2 and a molecular weight of 462.90 g/mol. Its IUPAC name is N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID118038693
Molecular FormulaC24H22ClF3N2O2
Molecular Weight462.90 g/mol
Exact Mass462.13
IUPAC NameN-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(=O)[nH]2)c1
InChIInChI=1S/C24H22ClF3N2O2/c1-23(2,3)22(32)29-13-14-4-9-19(25)18(10-14)20-11-16(12-21(31)30-20)15-5-7-17(8-6-15)24(26,27)28/h4-12H,13H2,1-3H3,(H,29,32)(H,30,31)
InChIKeyYIGXDWFXBZSWNM-UHFFFAOYSA-N
XLogP6.04
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.90
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 11983241
5-[2-(4-Chloro-3-trifluoromethyl-phenyl)-ethylamino]-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10455836
Dnmt/hdac-IN-1
CID 137633421
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 15983447
N-[[3-(4-chlorophenyl)phenyl]methyl]-3-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxamide
CID 71542250
N-[bis(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464279
N-[1-(4-chlorophenyl)-2-phenylethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464330
N-[(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464331
N-[1-(4-chlorophenyl)propyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 24613456
N-[(2-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464440
N-[(4-chlorophenyl)-phenylmethyl]-4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464502
N-[(3-chlorophenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464622

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide (CID 118038693) is N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCc1ccc(Cl)c(-c2cc(-c3ccc(C(F)(F)F)cc3)cc(=O)[nH]2)c1.
What is the InChIKey of N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is YIGXDWFXBZSWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N2O2/c1-23(2,3)22(32)29-13-14-4-9-19(25)18(10-14)20-11-16(12-21(31)30-20)15-5-7-17(8-6-15)24(26,27)28/h4-12H,13H2,1-3H3,(H,29,32)(H,30,31).
What are the key properties of N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide?
N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 462.90 g/mol, XLogP of 6.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118038693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).