N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide

C23H17ClF5N3O2 — CID 126578714

IUPACN-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cc(-c2ccc(C(F)(F)CNC(=O)c3ccccc3C(F)(F)F)c(Cl)c2)ccn1
InChIInChI=1S/C23H17ClF5N3O2/c1-13(33)32-20-11-15(8-9-30-20)14-6-7-18(19(24)10-14)22(25,26)12-31-21(34)16-4-2-3-5-17(16)23(27,28)29/h2-11H,12H2,1H3,(H,31,34)(H,30,32,33)
InChIKeyYUGWGFVPRDJUIC-UHFFFAOYSA-N
MW497.85 g/mol
LogP5.90
Rot. Bonds6

About N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide

N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide (PubChem CID 126578714) has the molecular formula C23H17ClF5N3O2 and a molecular weight of 497.85 g/mol. Its IUPAC name is N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
PubChem CID126578714
Molecular FormulaC23H17ClF5N3O2
Molecular Weight497.85 g/mol
Exact Mass497.09
IUPAC NameN-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cc(-c2ccc(C(F)(F)CNC(=O)c3ccccc3C(F)(F)F)c(Cl)c2)ccn1
InChIInChI=1S/C23H17ClF5N3O2/c1-13(33)32-20-11-15(8-9-30-20)14-6-7-18(19(24)10-14)22(25,26)12-31-21(34)16-4-2-3-5-17(16)23(27,28)29/h2-11H,12H2,1H3,(H,31,34)(H,30,32,33)
InChIKeyYUGWGFVPRDJUIC-UHFFFAOYSA-N
XLogP5.90
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.85
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 126586990
N-[2-[4-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 126578730
N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 118025025
N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 121304779
N-[2-[3-chloro-5-(4-isocyanophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 140733406
N-[2,2-difluoro-2-[2-fluoro-4-(6-fluoro-3-pyridinyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 126578719
N-[2-[3-chloro-5-(4-methoxyphenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 118033974
N-[2,2-difluoro-2-[4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 126578741
2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide
CID 125464994
N-[2,2-difluoro-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 126578727
N-[2-(5-bromo-3-chloro-2-pyridinyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide;N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide;(4-chlorophenyl)boronic acid
CID 159679340
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide (CID 126578714) is N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide is CC(=O)Nc1cc(-c2ccc(C(F)(F)CNC(=O)c3ccccc3C(F)(F)F)c(Cl)c2)ccn1.
What is the InChIKey of N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is YUGWGFVPRDJUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF5N3O2/c1-13(33)32-20-11-15(8-9-30-20)14-6-7-18(19(24)10-14)22(25,26)12-31-21(34)16-4-2-3-5-17(16)23(27,28)29/h2-11H,12H2,1H3,(H,31,34)(H,30,32,33).
What are the key properties of N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 497.85 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 126578714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).