4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide

C19H12F4N2O2 — CID 59672975

IUPAC4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2ncccc2F)cc1
InChIInChI=1S/C19H12F4N2O2/c20-16-2-1-11-24-17(16)12-3-5-13(6-4-12)18(26)25-14-7-9-15(10-8-14)27-19(21,22)23/h1-11H,(H,25,26)
InChIKeyGRHWQLMTSMIQRN-UHFFFAOYSA-N
MW376.31 g/mol
LogP5.04
Rot. Bonds4

About 4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide

4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 59672975) has the molecular formula C19H12F4N2O2 and a molecular weight of 376.31 g/mol. Its IUPAC name is 4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID59672975
Molecular FormulaC19H12F4N2O2
Molecular Weight376.31 g/mol
Exact Mass376.08
IUPAC Name4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2ncccc2F)cc1
InChIInChI=1S/C19H12F4N2O2/c20-16-2-1-11-24-17(16)12-3-5-13(6-4-12)18(26)25-14-7-9-15(10-8-14)27-19(21,22)23/h1-11H,(H,25,26)
InChIKeyGRHWQLMTSMIQRN-UHFFFAOYSA-N
XLogP5.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.31
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide
CID 58639613
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
N-(3-amino-2-pyridinyl)-4-(trifluoromethoxy)benzamide
CID 116628390
N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 23633023
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 28875531
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077
4-(phenoxymethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7957132
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632434

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 59672975) is 4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2ncccc2F)cc1.
What is the InChIKey of 4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is GRHWQLMTSMIQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N2O2/c20-16-2-1-11-24-17(16)12-3-5-13(6-4-12)18(26)25-14-7-9-15(10-8-14)27-19(21,22)23/h1-11H,(H,25,26).
What are the key properties of 4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 376.31 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 59672975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).