N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide

C23H19FN2O2 — CID 55978500

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
SMILESO=C(Nc1cccc2c1CCCN2C(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O2/c24-18-13-11-16(12-14-18)22(27)25-20-9-4-10-21-19(20)8-5-15-26(21)23(28)17-6-2-1-3-7-17/h1-4,6-7,9-14H,5,8,15H2,(H,25,27)
InChIKeyZDWVWHYGACUBGR-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.67
Rot. Bonds3

About N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide

N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide (PubChem CID 55978500) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
PubChem CID55978500
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
SMILESO=C(Nc1cccc2c1CCCN2C(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H19FN2O2/c24-18-13-11-16(12-14-18)22(27)25-20-9-4-10-21-19(20)8-5-15-26(21)23(28)17-6-2-1-3-7-17/h1-4,6-7,9-14H,5,8,15H2,(H,25,27)
InChIKeyZDWVWHYGACUBGR-UHFFFAOYSA-N
XLogP4.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978757
4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55979035
N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 52725585
N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978374
4-fluoro-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55977869
4-fluoro-N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55979296
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
4-fluoro-N-[1-[3-(2-fluoroanilino)-3-oxopropyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548756
N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978631
N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55977616
4-fluoro-N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548822
4-fluoro-N-[1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548636

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide (CID 55978500) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide is O=C(Nc1cccc2c1CCCN2C(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide?
The InChIKey is ZDWVWHYGACUBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c24-18-13-11-16(12-14-18)22(27)25-20-9-4-10-21-19(20)8-5-15-26(21)23(28)17-6-2-1-3-7-17/h1-4,6-7,9-14H,5,8,15H2,(H,25,27).
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide has a molecular weight of 374.42 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide is sourced from PubChem (CID 55978500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).