N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide

C20H17FN2O — CID 134012890

IUPACN-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=c2/ccccn2Cc2ccccc2)cc1F
InChIInChI=1S/C20H17FN2O/c1-15-10-11-17(13-18(15)21)20(24)22-19-9-5-6-12-23(19)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3/b22-19-
InChIKeyMIPGLPXFRGOGPT-QOCHGBHMSA-N
MW320.37 g/mol
LogP3.73
Rot. Bonds3

About N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide

N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide (PubChem CID 134012890) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide
PubChem CID134012890
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC NameN-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=c2/ccccn2Cc2ccccc2)cc1F
InChIInChI=1S/C20H17FN2O/c1-15-10-11-17(13-18(15)21)20(24)22-19-9-5-6-12-23(19)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3/b22-19-
InChIKeyMIPGLPXFRGOGPT-QOCHGBHMSA-N
XLogP3.73
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide (CID 134012890) is N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)/N=c2/ccccn2Cc2ccccc2)cc1F.
What is the InChIKey of N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide?
The InChIKey is MIPGLPXFRGOGPT-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H17FN2O/c1-15-10-11-17(13-18(15)21)20(24)22-19-9-5-6-12-23(19)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3/b22-19-.
What are the key properties of N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide?
N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide has a molecular weight of 320.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 134012890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).