N-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide

C19H10ClF5N2O — CID 24775067

IUPACN-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)nc1)c1c(F)cccc1F
InChIInChI=1S/C19H10ClF5N2O/c20-13-6-4-10(19(23,24)25)8-12(13)16-7-5-11(9-26-16)27-18(28)17-14(21)2-1-3-15(17)22/h1-9H,(H,27,28)
InChIKeyVUEMPTLOPXVARE-UHFFFAOYSA-N
MW412.75 g/mol
LogP5.95
Rot. Bonds3

About N-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide

N-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide (PubChem CID 24775067) has the molecular formula C19H10ClF5N2O and a molecular weight of 412.75 g/mol. Its IUPAC name is N-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide
PubChem CID24775067
Molecular FormulaC19H10ClF5N2O
Molecular Weight412.75 g/mol
Exact Mass412.04
IUPAC NameN-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)nc1)c1c(F)cccc1F
InChIInChI=1S/C19H10ClF5N2O/c20-13-6-4-10(19(23,24)25)8-12(13)16-7-5-11(9-26-16)27-18(28)17-14(21)2-1-3-15(17)22/h1-9H,(H,27,28)
InChIKeyVUEMPTLOPXVARE-UHFFFAOYSA-N
XLogP5.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.75
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide (CID 24775067) is N-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide is O=C(Nc1ccc(-c2cc(C(F)(F)F)ccc2Cl)nc1)c1c(F)cccc1F.
What is the InChIKey of N-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is VUEMPTLOPXVARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF5N2O/c20-13-6-4-10(19(23,24)25)8-12(13)16-7-5-11(9-26-16)27-18(28)17-14(21)2-1-3-15(17)22/h1-9H,(H,27,28).
What are the key properties of N-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide?
N-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 412.75 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 24775067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).