N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide

C22H15ClF4N2O3 — CID 73331682

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H15ClF4N2O3/c1-32-19-9-8-17(29-20(19)13-4-7-16(24)15(23)10-13)18(30)11-28-21(31)12-2-5-14(6-3-12)22(25,26)27/h2-10H,11H2,1H3,(H,28,31)
InChIKeyQFWCXDXFZTVBAH-UHFFFAOYSA-N
MW466.82 g/mol
LogP5.18
Rot. Bonds6

About N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 73331682) has the molecular formula C22H15ClF4N2O3 and a molecular weight of 466.82 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID73331682
Molecular FormulaC22H15ClF4N2O3
Molecular Weight466.82 g/mol
Exact Mass466.07
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H15ClF4N2O3/c1-32-19-9-8-17(29-20(19)13-4-7-16(24)15(23)10-13)18(30)11-28-21(31)12-2-5-14(6-3-12)22(25,26)27/h2-10H,11H2,1H3,(H,28,31)
InChIKeyQFWCXDXFZTVBAH-UHFFFAOYSA-N
XLogP5.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.82
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 73331682) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide is COc1ccc(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is QFWCXDXFZTVBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF4N2O3/c1-32-19-9-8-17(29-20(19)13-4-7-16(24)15(23)10-13)18(30)11-28-21(31)12-2-5-14(6-3-12)22(25,26)27/h2-10H,11H2,1H3,(H,28,31).
What are the key properties of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 466.82 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 73331682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).