N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide

C25H20FN3O — CID 113021176

IUPACN-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(N(Cc2ccccc2)c2ccccc2)nc1)c1ccccc1F
InChIInChI=1S/C25H20FN3O/c26-23-14-8-7-13-22(23)25(30)28-20-15-16-24(27-17-20)29(21-11-5-2-6-12-21)18-19-9-3-1-4-10-19/h1-17H,18H2,(H,28,30)
InChIKeyHOPSPTQJADSGEB-UHFFFAOYSA-N
MW397.45 g/mol
LogP5.81
Rot. Bonds6

About N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide

N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide (PubChem CID 113021176) has the molecular formula C25H20FN3O and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide
PubChem CID113021176
Molecular FormulaC25H20FN3O
Molecular Weight397.45 g/mol
Exact Mass397.16
IUPAC NameN-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(N(Cc2ccccc2)c2ccccc2)nc1)c1ccccc1F
InChIInChI=1S/C25H20FN3O/c26-23-14-8-7-13-22(23)25(30)28-20-15-16-24(27-17-20)29(21-11-5-2-6-12-21)18-19-9-3-1-4-10-19/h1-17H,18H2,(H,28,30)
InChIKeyHOPSPTQJADSGEB-UHFFFAOYSA-N
XLogP5.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(N-benzylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021177
2-N-benzyl-5-N-ethyl-2-N-phenylpyridine-2,5-diamine
CID 82104309
N-[6-(N-ethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113017591
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
6-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153077
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide
CID 113023833
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113015459
2-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011760
2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]benzoic acid
CID 60941938
N',N'-dibenzyl-2-fluorobenzohydrazide
CID 9293723
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
CID 115645650

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide (CID 113021176) is N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide is O=C(Nc1ccc(N(Cc2ccccc2)c2ccccc2)nc1)c1ccccc1F.
What is the InChIKey of N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is HOPSPTQJADSGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O/c26-23-14-8-7-13-22(23)25(30)28-20-15-16-24(27-17-20)29(21-11-5-2-6-12-21)18-19-9-3-1-4-10-19/h1-17H,18H2,(H,28,30).
What are the key properties of N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide?
N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 397.45 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-benzylanilino)-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 113021176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).