3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide

C22H16FN3O — CID 69005717

IUPAC3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide
SMILESNC(=O)c1cccc(Cc2ccccc2)c1-c1ccc2nc(F)ncc2c1
InChIInChI=1S/C22H16FN3O/c23-22-25-13-17-12-16(9-10-19(17)26-22)20-15(7-4-8-18(20)21(24)27)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H2,24,27)
InChIKeyMDBMAMGFANMAHN-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.13
Rot. Bonds4

About 3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide

3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide (PubChem CID 69005717) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide.

Molecular Properties

Compound Name3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide
PubChem CID69005717
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide
SMILESNC(=O)c1cccc(Cc2ccccc2)c1-c1ccc2nc(F)ncc2c1
InChIInChI=1S/C22H16FN3O/c23-22-25-13-17-12-16(9-10-19(17)26-22)20-15(7-4-8-18(20)21(24)27)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H2,24,27)
InChIKeyMDBMAMGFANMAHN-UHFFFAOYSA-N
XLogP4.13
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-2-(2-oxo-1H-pyridin-4-yl)benzamide
CID 166652836
3,4-dibenzyl-2-fluorobenzamide
CID 69484098
3-benzyl-2-(1,2-dihydropyridin-4-yl)benzamide
CID 71150670
2-(3-fluoro-4-iodophenyl)benzene-1,3-dicarboxamide
CID 152583206
2-benzyl-1H-benzimidazole-4-carboxamide
CID 154521483
2-benzylpyridine-3-carboxamide;dihydrochloride
CID 141007334
2-(3-chloro-4-fluorophenyl)benzene-1,3-dicarboxamide
CID 152528464
3-benzyl-5-bromopyridine-2-carboxamide
CID 141369316
acridine-4-carboxamide
CID 3025721
(2,4-diaminoquinazolin-6-yl)methyl 2-benzylbenzoate
CID 3008595
3-benzylbenzamide;hydrochloride
CID 159409318
2-benzyl-3-chlorobenzamide
CID 23225157

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide?
The IUPAC name of 3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide (CID 69005717) is 3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide.
What is the SMILES notation for 3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide?
The canonical SMILES for 3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide is NC(=O)c1cccc(Cc2ccccc2)c1-c1ccc2nc(F)ncc2c1.
What is the InChIKey of 3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide?
The InChIKey is MDBMAMGFANMAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-22-25-13-17-12-16(9-10-19(17)26-22)20-15(7-4-8-18(20)21(24)27)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H2,24,27).
What are the key properties of 3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide?
3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide has a molecular weight of 357.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(2-fluoroquinazolin-6-yl)benzamide is sourced from PubChem (CID 69005717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).