N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C19H12ClF3N2O2 — CID 1273941

IUPACN-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1cccnc1
InChIInChI=1S/C19H12ClF3N2O2/c20-13-3-6-15(7-4-13)27-17-8-5-14(10-16(17)19(21,22)23)25-18(26)12-2-1-9-24-11-12/h1-11H,(H,25,26)
InChIKeyBMCDQNLHHISPQL-UHFFFAOYSA-N
MW392.76 g/mol
LogP5.80
Rot. Bonds4

About N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 1273941) has the molecular formula C19H12ClF3N2O2 and a molecular weight of 392.76 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID1273941
Molecular FormulaC19H12ClF3N2O2
Molecular Weight392.76 g/mol
Exact Mass392.05
IUPAC NameN-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1cccnc1
InChIInChI=1S/C19H12ClF3N2O2/c20-13-3-6-15(7-4-13)27-17-8-5-14(10-16(17)19(21,22)23)25-18(26)12-2-1-9-24-11-12/h1-11H,(H,25,26)
InChIKeyBMCDQNLHHISPQL-UHFFFAOYSA-N
XLogP5.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 1273941) is N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1cccnc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is BMCDQNLHHISPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O2/c20-13-3-6-15(7-4-13)27-17-8-5-14(10-16(17)19(21,22)23)25-18(26)12-2-1-9-24-11-12/h1-11H,(H,25,26).
What are the key properties of N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 392.76 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1273941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).