N-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide

C19H14ClFN2O — CID 55395487

IUPACN-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide
SMILESO=C(/N=c1/ccccn1Cc1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H14ClFN2O/c20-17-12-15(21)9-10-16(17)19(24)22-18-8-4-5-11-23(18)13-14-6-2-1-3-7-14/h1-12H,13H2/b22-18-
InChIKeyONPDEFPKYPBSPA-PYCFMQQDSA-N
MW340.79 g/mol
LogP4.07
Rot. Bonds3

About N-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide

N-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide (PubChem CID 55395487) has the molecular formula C19H14ClFN2O and a molecular weight of 340.79 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide
PubChem CID55395487
Molecular FormulaC19H14ClFN2O
Molecular Weight340.79 g/mol
Exact Mass340.08
IUPAC NameN-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide
SMILESO=C(/N=c1/ccccn1Cc1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H14ClFN2O/c20-17-12-15(21)9-10-16(17)19(24)22-18-8-4-5-11-23(18)13-14-6-2-1-3-7-14/h1-12H,13H2/b22-18-
InChIKeyONPDEFPKYPBSPA-PYCFMQQDSA-N
XLogP4.07
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 54.07
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)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide (CID 55395487) is N-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide is O=C(/N=c1/ccccn1Cc1ccccc1)c1ccc(F)cc1Cl.
What is the InChIKey of N-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide?
The InChIKey is ONPDEFPKYPBSPA-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H14ClFN2O/c20-17-12-15(21)9-10-16(17)19(24)22-18-8-4-5-11-23(18)13-14-6-2-1-3-7-14/h1-12H,13H2/b22-18-.
What are the key properties of N-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide?
N-(1-benzyl-2-pyridinylidene)-2-chloro-4-fluorobenzamide has a molecular weight of 340.79 g/mol, XLogP of 4.07, 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)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 55395487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).