N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C20H11ClF6N2O — CID 59673432

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C20H11ClF6N2O/c21-15-9-13(19(22,23)24)5-6-16(15)29-18(30)12-3-1-11(2-4-12)17-10-14(7-8-28-17)20(25,26)27/h1-10H,(H,29,30)
InChIKeyAHHDSKAJYJKUBU-UHFFFAOYSA-N
MW444.76 g/mol
LogP6.69
Rot. Bonds3

About N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59673432) has the molecular formula C20H11ClF6N2O and a molecular weight of 444.76 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59673432
Molecular FormulaC20H11ClF6N2O
Molecular Weight444.76 g/mol
Exact Mass444.05
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C20H11ClF6N2O/c21-15-9-13(19(22,23)24)5-6-16(15)29-18(30)12-3-1-11(2-4-12)17-10-14(7-8-28-17)20(25,26)27/h1-10H,(H,29,30)
InChIKeyAHHDSKAJYJKUBU-UHFFFAOYSA-N
XLogP6.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.76
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyphenyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673564
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide
CID 17102264
N-(2-oxo-1H-pyridin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 143032463
N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673707
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278
N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673003
2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide
CID 175876313
N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59672796
N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17100502
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673779
N-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66879857
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59673432) is N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is AHHDSKAJYJKUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF6N2O/c21-15-9-13(19(22,23)24)5-6-16(15)29-18(30)12-3-1-11(2-4-12)17-10-14(7-8-28-17)20(25,26)27/h1-10H,(H,29,30).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 444.76 g/mol, XLogP of 6.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59673432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).