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

C28H16Cl2F8N2O — CID 58920085

IUPACN-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(N[C@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C28H16Cl2F8N2O/c29-19-3-1-2-15(8-19)13-26(24-7-5-20(30)14-39-24,17-10-18(27(33,34)35)12-21(31)11-17)40-25(41)16-4-6-23(32)22(9-16)28(36,37)38/h1-12,14H,13H2,(H,40,41)/t26-/m1/s1
InChIKeyBEKAFLQEDWHFKO-AREMUKBSSA-N
MW619.34 g/mol
LogP8.62
Rot. Bonds6

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

N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 58920085) has the molecular formula C28H16Cl2F8N2O and a molecular weight of 619.34 g/mol. Its IUPAC name is N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID58920085
Molecular FormulaC28H16Cl2F8N2O
Molecular Weight619.34 g/mol
Exact Mass618.05
IUPAC NameN-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(N[C@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C28H16Cl2F8N2O/c29-19-3-1-2-15(8-19)13-26(24-7-5-20(30)14-39-24,17-10-18(27(33,34)35)12-21(31)11-17)40-25(41)16-4-6-23(32)22(9-16)28(36,37)38/h1-12,14H,13H2,(H,40,41)/t26-/m1/s1
InChIKeyBEKAFLQEDWHFKO-AREMUKBSSA-N
XLogP8.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.34
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide (CID 58920085) is N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide is O=C(N[C@](Cc1cccc(Cl)c1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is BEKAFLQEDWHFKO-AREMUKBSSA-N. The full InChI is InChI=1S/C28H16Cl2F8N2O/c29-19-3-1-2-15(8-19)13-26(24-7-5-20(30)14-39-24,17-10-18(27(33,34)35)12-21(31)11-17)40-25(41)16-4-6-23(32)22(9-16)28(36,37)38/h1-12,14H,13H2,(H,40,41)/t26-/m1/s1.
What are the key properties of N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 619.34 g/mol, XLogP of 8.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58920085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).