2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide

C20H13F5N2O — CID 123131777

IUPAC2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2F)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H13F5N2O/c1-11-2-9-17(18(26-11)12-3-6-14(21)7-4-12)27-19(28)15-8-5-13(10-16(15)22)20(23,24)25/h2-10H,1H3,(H,27,28)
InChIKeyFBACRSKJFHDTDV-UHFFFAOYSA-N
MW392.33 g/mol
LogP5.61
Rot. Bonds3

About 2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide

2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide (PubChem CID 123131777) has the molecular formula C20H13F5N2O and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
PubChem CID123131777
Molecular FormulaC20H13F5N2O
Molecular Weight392.33 g/mol
Exact Mass392.09
IUPAC Name2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2F)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H13F5N2O/c1-11-2-9-17(18(26-11)12-3-6-14(21)7-4-12)27-19(28)15-8-5-13(10-16(15)22)20(23,24)25/h2-10H,1H3,(H,27,28)
InChIKeyFBACRSKJFHDTDV-UHFFFAOYSA-N
XLogP5.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide (CID 123131777) is 2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2F)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The InChIKey is FBACRSKJFHDTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N2O/c1-11-2-9-17(18(26-11)12-3-6-14(21)7-4-12)27-19(28)15-8-5-13(10-16(15)22)20(23,24)25/h2-10H,1H3,(H,27,28).
What are the key properties of 2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide?
2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide has a molecular weight of 392.33 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 123131777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).