N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide

C24H17F8N3O2 — CID 126586990

IUPACN-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1ccc(-c2ccc(C(F)(F)CNC(=O)c3ccccc3C(F)(F)F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H17F8N3O2/c1-13(36)35-20-9-7-15(11-33-20)14-6-8-18(19(10-14)24(30,31)32)22(25,26)12-34-21(37)16-4-2-3-5-17(16)23(27,28)29/h2-11H,12H2,1H3,(H,34,37)(H,33,35,36)
InChIKeyTVDSBWQTPJZDPC-UHFFFAOYSA-N
MW531.40 g/mol
LogP6.27
Rot. Bonds6

About N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide

N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide (PubChem CID 126586990) has the molecular formula C24H17F8N3O2 and a molecular weight of 531.40 g/mol. Its IUPAC name is N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
PubChem CID126586990
Molecular FormulaC24H17F8N3O2
Molecular Weight531.40 g/mol
Exact Mass531.12
IUPAC NameN-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1ccc(-c2ccc(C(F)(F)CNC(=O)c3ccccc3C(F)(F)F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H17F8N3O2/c1-13(36)35-20-9-7-15(11-33-20)14-6-8-18(19(10-14)24(30,31)32)22(25,26)12-34-21(37)16-4-2-3-5-17(16)23(27,28)29/h2-11H,12H2,1H3,(H,34,37)(H,33,35,36)
InChIKeyTVDSBWQTPJZDPC-UHFFFAOYSA-N
XLogP6.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.40
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 126578714
N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 121304779
N-[2,2-difluoro-2-[4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 126578741
N-[2-[4-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 126578730
N-[2,2-difluoro-2-[2-fluoro-4-(6-fluoro-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 126578719
N-[2,2-difluoro-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 126578727
N-[2,2-difluoro-2-[4-pyrimidin-5-yl-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 126578757
N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 118025025
N-[2-[3-chloro-5-(4-isocyanophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 140733406
N-[2-[3-chloro-5-(4-methoxyphenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 118033974
N-(5-acetyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 84591908
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide (CID 126586990) is N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide is CC(=O)Nc1ccc(-c2ccc(C(F)(F)CNC(=O)c3ccccc3C(F)(F)F)c(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is TVDSBWQTPJZDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F8N3O2/c1-13(36)35-20-9-7-15(11-33-20)14-6-8-18(19(10-14)24(30,31)32)22(25,26)12-34-21(37)16-4-2-3-5-17(16)23(27,28)29/h2-11H,12H2,1H3,(H,34,37)(H,33,35,36).
What are the key properties of N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 531.40 g/mol, XLogP of 6.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 126586990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).