2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide

C19H15F2N3O — CID 113027089

IUPAC2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccc(F)cc2)cn1)c1ccccc1F
InChIInChI=1S/C19H15F2N3O/c20-14-7-5-13(6-8-14)11-22-15-9-10-18(23-12-15)24-19(25)16-3-1-2-4-17(16)21/h1-10,12,22H,11H2,(H,23,24,25)
InChIKeyPKTOBOOISBXPCR-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.22
Rot. Bonds5

About 2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide

2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide (PubChem CID 113027089) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
PubChem CID113027089
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccc(F)cc2)cn1)c1ccccc1F
InChIInChI=1S/C19H15F2N3O/c20-14-7-5-13(6-8-14)11-22-15-9-10-18(23-12-15)24-19(25)16-3-1-2-4-17(16)21/h1-10,12,22H,11H2,(H,23,24,25)
InChIKeyPKTOBOOISBXPCR-UHFFFAOYSA-N
XLogP4.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113026995
2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011760
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide
CID 113023833
N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113029972
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide
CID 113027073
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
CID 113041609
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113024232
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
2-(4-chlorophenyl)-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]acetamide
CID 113027010

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide (CID 113027089) is 2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide is O=C(Nc1ccc(NCc2ccc(F)cc2)cn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide?
The InChIKey is PKTOBOOISBXPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c20-14-7-5-13(6-8-14)11-22-15-9-10-18(23-12-15)24-19(25)16-3-1-2-4-17(16)21/h1-10,12,22H,11H2,(H,23,24,25).
What are the key properties of 2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide?
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide has a molecular weight of 339.35 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide is sourced from PubChem (CID 113027089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).