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

C23H16ClF7N2O — CID 58919943

IUPACN-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(F)F)cc(C(C)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)c1
InChIInChI=1S/C23H16ClF7N2O/c1-12-7-14(10-15(8-12)22(26,27)28)21(2,19-6-4-16(24)11-32-19)33-20(34)13-3-5-18(25)17(9-13)23(29,30)31/h3-11H,1-2H3,(H,33,34)
InChIKeyVXNPZNUYMYIMOV-UHFFFAOYSA-N
MW504.83 g/mol
LogP6.91
Rot. Bonds4

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

N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 58919943) has the molecular formula C23H16ClF7N2O and a molecular weight of 504.83 g/mol. Its IUPAC name is N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
PubChem CID58919943
Molecular FormulaC23H16ClF7N2O
Molecular Weight504.83 g/mol
Exact Mass504.08
IUPAC NameN-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(F)F)cc(C(C)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)c1
InChIInChI=1S/C23H16ClF7N2O/c1-12-7-14(10-15(8-12)22(26,27)28)21(2,19-6-4-16(24)11-32-19)33-20(34)13-3-5-18(25)17(9-13)23(29,30)31/h3-11H,1-2H3,(H,33,34)
InChIKeyVXNPZNUYMYIMOV-UHFFFAOYSA-N
XLogP6.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.83
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide (CID 58919943) is N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide is Cc1cc(C(F)(F)F)cc(C(C)(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c2ccc(Cl)cn2)c1.
What is the InChIKey of N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is VXNPZNUYMYIMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF7N2O/c1-12-7-14(10-15(8-12)22(26,27)28)21(2,19-6-4-16(24)11-32-19)33-20(34)13-3-5-18(25)17(9-13)23(29,30)31/h3-11H,1-2H3,(H,33,34).
What are the key properties of N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide?
N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 504.83 g/mol, XLogP of 6.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58919943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).