N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

C27H18Cl2F4N2O — CID 58921299

IUPACN-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(NC(Cc1ccccc1)(c1cccc(Cl)c1)c1ccc(Cl)cn1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C27H18Cl2F4N2O/c28-20-8-4-7-19(14-20)26(15-17-5-2-1-3-6-17,24-12-10-21(29)16-34-24)35-25(36)18-9-11-23(30)22(13-18)27(31,32)33/h1-14,16H,15H2,(H,35,36)
InChIKeyYVOGDICSAHRERJ-UHFFFAOYSA-N
MW533.35 g/mol
LogP7.46
Rot. Bonds6

About N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide

N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 58921299) has the molecular formula C27H18Cl2F4N2O and a molecular weight of 533.35 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID58921299
Molecular FormulaC27H18Cl2F4N2O
Molecular Weight533.35 g/mol
Exact Mass532.07
IUPAC NameN-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(NC(Cc1ccccc1)(c1cccc(Cl)c1)c1ccc(Cl)cn1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C27H18Cl2F4N2O/c28-20-8-4-7-19(14-20)26(15-17-5-2-1-3-6-17,24-12-10-21(29)16-34-24)35-25(36)18-9-11-23(30)22(13-18)27(31,32)33/h1-14,16H,15H2,(H,35,36)
InChIKeyYVOGDICSAHRERJ-UHFFFAOYSA-N
XLogP7.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.35
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58920287
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 58920855
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
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3,3-dimethylbutanamide
CID 58920064
1-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 58921476
[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]urea
CID 162540699
1-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-propan-2-ylurea
CID 58921665
1-(5-chloro-2-pyridinyl)-1-[3-(1,1-difluoroethyl)phenyl]-N-methyl-2-phenylethanamine
CID 143474285
3-(5-chloro-2-pyridinyl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]-4-phenylbutan-1-one
CID 123947561
1-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]ethyl]-3-phenylurea
CID 143473137
1-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-(4-cyanophenyl)urea
CID 58920642
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropanecarboxamide
CID 66934497

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide (CID 58921299) is N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide is O=C(NC(Cc1ccccc1)(c1cccc(Cl)c1)c1ccc(Cl)cn1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is YVOGDICSAHRERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2F4N2O/c28-20-8-4-7-19(14-20)26(15-17-5-2-1-3-6-17,24-12-10-21(29)16-34-24)35-25(36)18-9-11-23(30)22(13-18)27(31,32)33/h1-14,16H,15H2,(H,35,36).
What are the key properties of N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 533.35 g/mol, XLogP of 7.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58921299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).