N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

C143H100Cl6F30N10O5 — CID 157366799

IUPACN-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(F)(F)c1ccc(Cl)c(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)c1.Cc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)c1.Cc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(Cl)cc(Cl)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(F)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C29H20Cl2F6N2O.2C29H20ClF7N2O.C28H20Cl2F4N2O.C28H20F6N2O/c1-27(33,34)19-8-10-23(31)21(14-19)28(15-17-5-3-2-4-6-17,25-12-9-20(30)16-38-25)39-26(40)18-7-11-24(32)22(13-18)29(35,36)37;1-17-7-12-25(38-16-17)27(15-18-5-3-2-4-6-18,20-9-10-23(30)21(14-20)28(32,33)34)39-26(40)19-8-11-24(31)22(13-19)29(35,36)37;1-17-11-20(14-21(12-17)28(32,33)34)27(15-18-5-3-2-4-6-18,25-10-8-22(30)16-38-25)39-26(40)19-7-9-24(31)23(13-19)29(35,36)37;2*1-17-7-10-25(35-16-17)27(15-18-5-3-2-4-6-18,20-12-21(29)14-22(30)13-20)36-26(37)19-8-9-24(31)23(11-19)28(32,33)34/h3*2-14,16H,15H2,1H3,(H,39,40);2*2-14,16H,15H2,1H3,(H,36,37)
InChIKeyBJGZBWXPQJMJMR-UHFFFAOYSA-N
MW2821.10 g/mol
LogP39.36
Rot. Bonds31

About N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 157366799) has the molecular formula C143H100Cl6F30N10O5 and a molecular weight of 2821.10 g/mol. Its IUPAC name is N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID157366799
Molecular FormulaC143H100Cl6F30N10O5
Molecular Weight2821.10 g/mol
Exact Mass2816.55
IUPAC NameN-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESCC(F)(F)c1ccc(Cl)c(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)c1.Cc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)c1.Cc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(Cl)cc(Cl)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(F)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C29H20Cl2F6N2O.2C29H20ClF7N2O.C28H20Cl2F4N2O.C28H20F6N2O/c1-27(33,34)19-8-10-23(31)21(14-19)28(15-17-5-3-2-4-6-17,25-12-9-20(30)16-38-25)39-26(40)18-7-11-24(32)22(13-18)29(35,36)37;1-17-7-12-25(38-16-17)27(15-18-5-3-2-4-6-18,20-9-10-23(30)21(14-20)28(32,33)34)39-26(40)19-8-11-24(31)22(13-19)29(35,36)37;1-17-11-20(14-21(12-17)28(32,33)34)27(15-18-5-3-2-4-6-18,25-10-8-22(30)16-38-25)39-26(40)19-7-9-24(31)23(13-19)29(35,36)37;2*1-17-7-10-25(35-16-17)27(15-18-5-3-2-4-6-18,20-12-21(29)14-22(30)13-20)36-26(37)19-8-9-24(31)23(11-19)28(32,33)34/h3*2-14,16H,15H2,1H3,(H,39,40);2*2-14,16H,15H2,1H3,(H,36,37)
InChIKeyBJGZBWXPQJMJMR-UHFFFAOYSA-N
XLogP39.36
TPSA209.95 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds31
Heavy Atoms194
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002821.10
LogP ≤ 539.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (CID 157366799) is N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide is CC(F)(F)c1ccc(Cl)c(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)c1.Cc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)c1.Cc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(Cl)cc(Cl)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2cc(F)cc(F)c2)nc1.Cc1ccc(C(Cc2ccccc2)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)c(C(F)(F)F)c2)nc1.
What is the InChIKey of N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is BJGZBWXPQJMJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2F6N2O.2C29H20ClF7N2O.C28H20Cl2F4N2O.C28H20F6N2O/c1-27(33,34)19-8-10-23(31)21(14-19)28(15-17-5-3-2-4-6-17,25-12-9-20(30)16-38-25)39-26(40)18-7-11-24(32)22(13-18)29(35,36)37;1-17-7-12-25(38-16-17)27(15-18-5-3-2-4-6-18,20-9-10-23(30)21(14-20)28(32,33)34)39-26(40)19-8-11-24(31)22(13-19)29(35,36)37;1-17-11-20(14-21(12-17)28(32,33)34)27(15-18-5-3-2-4-6-18,25-10-8-22(30)16-38-25)39-26(40)19-7-9-24(31)23(13-19)29(35,36)37;2*1-17-7-10-25(35-16-17)27(15-18-5-3-2-4-6-18,20-12-21(29)14-22(30)13-20)36-26(37)19-8-9-24(31)23(11-19)28(32,33)34/h3*2-14,16H,15H2,1H3,(H,39,40);2*2-14,16H,15H2,1H3,(H,36,37).
What are the key properties of N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 2821.10 g/mol, XLogP of 39.36, 31 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157366799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).