3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide

C20H17F2N3O — CID 113026825

IUPAC3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
SMILESCC(Nc1ccc(NC(=O)c2ccc(F)c(F)c2)nc1)c1ccccc1
InChIInChI=1S/C20H17F2N3O/c1-13(14-5-3-2-4-6-14)24-16-8-10-19(23-12-16)25-20(26)15-7-9-17(21)18(22)11-15/h2-13,24H,1H3,(H,23,25,26)
InChIKeyKRGZTSKDTLNRJC-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.79
Rot. Bonds5

About 3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide

3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide (PubChem CID 113026825) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
PubChem CID113026825
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
SMILESCC(Nc1ccc(NC(=O)c2ccc(F)c(F)c2)nc1)c1ccccc1
InChIInChI=1S/C20H17F2N3O/c1-13(14-5-3-2-4-6-14)24-16-8-10-19(23-12-16)25-20(26)15-7-9-17(21)18(22)11-15/h2-13,24H,1H3,(H,23,25,26)
InChIKeyKRGZTSKDTLNRJC-UHFFFAOYSA-N
XLogP4.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026793
4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011864
N-(3-chloro-4-fluorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156144
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
3,4-difluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017842
2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027675
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026778
N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170168
4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023565

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide (CID 113026825) is 3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide is CC(Nc1ccc(NC(=O)c2ccc(F)c(F)c2)nc1)c1ccccc1.
What is the InChIKey of 3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide?
The InChIKey is KRGZTSKDTLNRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-13(14-5-3-2-4-6-14)24-16-8-10-19(23-12-16)25-20(26)15-7-9-17(21)18(22)11-15/h2-13,24H,1H3,(H,23,25,26).
What are the key properties of 3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide?
3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide has a molecular weight of 353.37 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113026825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).