N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide

C21H14F6N2O — CID 141359253

IUPACN-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1cnccc1-c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H14F6N2O/c22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)19(30)29-12-15-11-28-7-6-18(15)13-4-2-1-3-5-13/h1-11H,12H2,(H,29,30)
InChIKeyQGSYVTPNKFTVPD-UHFFFAOYSA-N
MW424.34 g/mol
LogP5.72
Rot. Bonds4

About N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide

N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 141359253) has the molecular formula C21H14F6N2O and a molecular weight of 424.34 g/mol. Its IUPAC name is N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID141359253
Molecular FormulaC21H14F6N2O
Molecular Weight424.34 g/mol
Exact Mass424.10
IUPAC NameN-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCc1cnccc1-c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H14F6N2O/c22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)19(30)29-12-15-11-28-7-6-18(15)13-4-2-1-3-5-13/h1-11H,12H2,(H,29,30)
InChIKeyQGSYVTPNKFTVPD-UHFFFAOYSA-N
XLogP5.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.34
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide (CID 141359253) is N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide is O=C(NCc1cnccc1-c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is QGSYVTPNKFTVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N2O/c22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)19(30)29-12-15-11-28-7-6-18(15)13-4-2-1-3-5-13/h1-11H,12H2,(H,29,30).
What are the key properties of N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide?
N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 424.34 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 141359253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).