[4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone

C20H15F3N2O — CID 561624

IUPAC[4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(NCc2ccccc2)ccnc1C(F)(F)F
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)19-17(18(26)15-9-5-2-6-10-15)16(11-12-24-19)25-13-14-7-3-1-4-8-14/h1-12H,13H2,(H,24,25)
InChIKeyFGMZWYZUBSXKQG-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.94
Rot. Bonds5

About [4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone

[4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone (PubChem CID 561624) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is [4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone
PubChem CID561624
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC Name[4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1c(NCc2ccccc2)ccnc1C(F)(F)F
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)19-17(18(26)15-9-5-2-6-10-15)16(11-12-24-19)25-13-14-7-3-1-4-8-14/h1-12H,13H2,(H,24,25)
InChIKeyFGMZWYZUBSXKQG-UHFFFAOYSA-N
XLogP4.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone?
The IUPAC name of [4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone (CID 561624) is [4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone.
What is the SMILES notation for [4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone?
The canonical SMILES for [4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone is O=C(c1ccccc1)c1c(NCc2ccccc2)ccnc1C(F)(F)F.
What is the InChIKey of [4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone?
The InChIKey is FGMZWYZUBSXKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O/c21-20(22,23)19-17(18(26)15-9-5-2-6-10-15)16(11-12-24-19)25-13-14-7-3-1-4-8-14/h1-12H,13H2,(H,24,25).
What are the key properties of [4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone?
[4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone has a molecular weight of 356.35 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzylamino)-2-(trifluoromethyl)-3-pyridinyl]-phenylmethanone is sourced from PubChem (CID 561624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).