N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide

C19H15FN2O — CID 171559481

IUPACN-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide
SMILESO=C(Nc1nccc2c(C3CC3)cccc12)c1cccc(F)c1
InChIInChI=1S/C19H15FN2O/c20-14-4-1-3-13(11-14)19(23)22-18-17-6-2-5-15(12-7-8-12)16(17)9-10-21-18/h1-6,9-12H,7-8H2,(H,21,22,23)
InChIKeyVEQZRGBHFLUSMC-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.50
Rot. Bonds3

About N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide

N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide (PubChem CID 171559481) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide
PubChem CID171559481
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC NameN-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide
SMILESO=C(Nc1nccc2c(C3CC3)cccc12)c1cccc(F)c1
InChIInChI=1S/C19H15FN2O/c20-14-4-1-3-13(11-14)19(23)22-18-17-6-2-5-15(12-7-8-12)16(17)9-10-21-18/h1-6,9-12H,7-8H2,(H,21,22,23)
InChIKeyVEQZRGBHFLUSMC-UHFFFAOYSA-N
XLogP4.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide?
The IUPAC name of N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide (CID 171559481) is N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide?
The canonical SMILES for N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide is O=C(Nc1nccc2c(C3CC3)cccc12)c1cccc(F)c1.
What is the InChIKey of N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide?
The InChIKey is VEQZRGBHFLUSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c20-14-4-1-3-13(11-14)19(23)22-18-17-6-2-5-15(12-7-8-12)16(17)9-10-21-18/h1-6,9-12H,7-8H2,(H,21,22,23).
What are the key properties of N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide?
N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide has a molecular weight of 306.34 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropylisoquinolin-1-yl)-3-fluorobenzamide is sourced from PubChem (CID 171559481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).