N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide

C19H14ClF3N2O3 — CID 56961282

IUPACN-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)o1
InChIInChI=1S/C19H14ClF3N2O3/c1-11-2-7-16(28-11)17(26)25-14-8-15(12-3-5-13(20)6-4-12)18(24-9-14)27-10-19(21,22)23/h2-9H,10H2,1H3,(H,25,26)
InChIKeyOEKSDDLXRYLHSR-UHFFFAOYSA-N
MW410.78 g/mol
LogP5.50
Rot. Bonds5

About N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide

N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide (PubChem CID 56961282) has the molecular formula C19H14ClF3N2O3 and a molecular weight of 410.78 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide
PubChem CID56961282
Molecular FormulaC19H14ClF3N2O3
Molecular Weight410.78 g/mol
Exact Mass410.06
IUPAC NameN-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)o1
InChIInChI=1S/C19H14ClF3N2O3/c1-11-2-7-16(28-11)17(26)25-14-8-15(12-3-5-13(20)6-4-12)18(24-9-14)27-10-19(21,22)23/h2-9H,10H2,1H3,(H,25,26)
InChIKeyOEKSDDLXRYLHSR-UHFFFAOYSA-N
XLogP5.50
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.78
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 56961283
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 56961607
5-[[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamoyl]pyridine-3-carboxylic acid
CID 67280524
1,2-oxazol-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 121433829
(2E)-N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-methoxyiminopropanamide
CID 56961894
pyrimidin-5-yl N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 121433854
N-[5-(4-ethylphenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine-3-carboxamide
CID 56951327
N-[5-(3-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-thiazole-5-carboxamide
CID 56961779
2-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-phenylethanone
CID 149327782
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67971298
2-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1-pyrimidin-5-ylethanone
CID 149147838

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide (CID 56961282) is N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2cnc(OCC(F)(F)F)c(-c3ccc(Cl)cc3)c2)o1.
What is the InChIKey of N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide?
The InChIKey is OEKSDDLXRYLHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O3/c1-11-2-7-16(28-11)17(26)25-14-8-15(12-3-5-13(20)6-4-12)18(24-9-14)27-10-19(21,22)23/h2-9H,10H2,1H3,(H,25,26).
What are the key properties of N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide?
N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide has a molecular weight of 410.78 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 56961282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).