N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide

C20H17F2N3O — CID 113017591

IUPACN-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
SMILESCCN(c1ccccc1)c1ccc(NC(=O)c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C20H17F2N3O/c1-2-25(16-6-4-3-5-7-16)19-11-9-15(13-23-19)24-20(26)14-8-10-17(21)18(22)12-14/h3-13H,2H2,1H3,(H,24,26)
InChIKeyVHTGEFKGLQZIPU-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.77
Rot. Bonds5

About N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide

N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide (PubChem CID 113017591) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
PubChem CID113017591
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
SMILESCCN(c1ccccc1)c1ccc(NC(=O)c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C20H17F2N3O/c1-2-25(16-6-4-3-5-7-16)19-11-9-15(13-23-19)24-20(26)14-8-10-17(21)18(22)12-14/h3-13H,2H2,1H3,(H,24,26)
InChIKeyVHTGEFKGLQZIPU-UHFFFAOYSA-N
XLogP4.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267710
N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021177
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
CID 113014143
2-ethyl-N-[6-(N-ethylanilino)-3-pyridinyl]butanamide
CID 113017550
N-(4-acetylphenyl)-2-(N-ethylanilino)pyridine-4-carboxamide
CID 109176977
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113022970
N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113021176
4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092396
N-[4-(N-ethylanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986552
3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026825
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476
3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027675

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide?
The IUPAC name of N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide (CID 113017591) is N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide is CCN(c1ccccc1)c1ccc(NC(=O)c2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide?
The InChIKey is VHTGEFKGLQZIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-2-25(16-6-4-3-5-7-16)19-11-9-15(13-23-19)24-20(26)14-8-10-17(21)18(22)12-14/h3-13H,2H2,1H3,(H,24,26).
What are the key properties of N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide?
N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide has a molecular weight of 353.37 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113017591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).