4-fluoro-2-methyl-N-quinolin-5-ylbenzamide

C17H13FN2O — CID 115745134

IUPAC4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C17H13FN2O/c1-11-10-12(18)7-8-13(11)17(21)20-16-6-2-5-15-14(16)4-3-9-19-15/h2-10H,1H3,(H,20,21)
InChIKeySKRCRZCKYNLPOK-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.93
Rot. Bonds2

About 4-fluoro-2-methyl-N-quinolin-5-ylbenzamide

4-fluoro-2-methyl-N-quinolin-5-ylbenzamide (PubChem CID 115745134) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
PubChem CID115745134
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C17H13FN2O/c1-11-10-12(18)7-8-13(11)17(21)20-16-6-2-5-15-14(16)4-3-9-19-15/h2-10H,1H3,(H,20,21)
InChIKeySKRCRZCKYNLPOK-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142
2,3,4-trifluoro-N-quinolin-5-ylbenzamide
CID 110868233
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
4-fluoro-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)benzamide
CID 115745724
2-bromo-5-methyl-N-quinolin-5-ylbenzamide
CID 80955712
4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 81230952
2-methyl-6-phenyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 34130475
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015
5-fluoro-6-methyl-N-quinolin-5-ylpyridine-2-carboxamide
CID 146080713
4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3884706
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
1-(4-fluorophenyl)-5-methyl-N-quinolin-5-yl-1,2,4-triazole-3-carboxamide
CID 17399887

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-quinolin-5-ylbenzamide?
The IUPAC name of 4-fluoro-2-methyl-N-quinolin-5-ylbenzamide (CID 115745134) is 4-fluoro-2-methyl-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-quinolin-5-ylbenzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-quinolin-5-ylbenzamide is Cc1cc(F)ccc1C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 4-fluoro-2-methyl-N-quinolin-5-ylbenzamide?
The InChIKey is SKRCRZCKYNLPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-11-10-12(18)7-8-13(11)17(21)20-16-6-2-5-15-14(16)4-3-9-19-15/h2-10H,1H3,(H,20,21).
What are the key properties of 4-fluoro-2-methyl-N-quinolin-5-ylbenzamide?
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide has a molecular weight of 280.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 115745134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).