N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide

C21H13Cl2F5N2O — CID 118025025

IUPACN-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(F)(F)c1ncc(-c2ccc(Cl)cc2)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H13Cl2F5N2O/c22-14-7-5-12(6-8-14)13-9-17(23)18(29-10-13)20(24,25)11-30-19(31)15-3-1-2-4-16(15)21(26,27)28/h1-10H,11H2,(H,30,31)
InChIKeyWDIUAASYYOAVSF-UHFFFAOYSA-N
MW475.24 g/mol
LogP6.60
Rot. Bonds5

About N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide

N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide (PubChem CID 118025025) has the molecular formula C21H13Cl2F5N2O and a molecular weight of 475.24 g/mol. Its IUPAC name is N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
PubChem CID118025025
Molecular FormulaC21H13Cl2F5N2O
Molecular Weight475.24 g/mol
Exact Mass474.03
IUPAC NameN-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(F)(F)c1ncc(-c2ccc(Cl)cc2)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H13Cl2F5N2O/c22-14-7-5-12(6-8-14)13-9-17(23)18(29-10-13)20(24,25)11-30-19(31)15-3-1-2-4-16(15)21(26,27)28/h1-10H,11H2,(H,30,31)
InChIKeyWDIUAASYYOAVSF-UHFFFAOYSA-N
XLogP6.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.24
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-[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-[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-[4-(2-acetamido-4-pyridinyl)-2-chlorophenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 126578714
N-[2-[4-(6-acetamido-3-pyridinyl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
CID 126586990
N-[2-[3-chloro-5-(4-fluorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-4-ethyl-3-(trifluoromethyl)pyridine-2-carboxamide
CID 123613302
N-[2,2-difluoro-2-[4-(4-fluorophenyl)-2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 121304779
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(trifluoromethyl)benzamide
CID 74766847
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide (CID 118025025) is N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide is O=C(NCC(F)(F)c1ncc(-c2ccc(Cl)cc2)cc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is WDIUAASYYOAVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F5N2O/c22-14-7-5-12(6-8-14)13-9-17(23)18(29-10-13)20(24,25)11-30-19(31)15-3-1-2-4-16(15)21(26,27)28/h1-10H,11H2,(H,30,31).
What are the key properties of N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 475.24 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-5-(4-chlorophenyl)-2-pyridinyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 118025025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).