N-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide

C23H17FN2O — CID 102299845

IUPACN-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide
SMILESCc1ccc(N(C=O)c2nc(-c3ccccc3)cc3ccc(F)cc23)cc1
InChIInChI=1S/C23H17FN2O/c1-16-7-11-20(12-8-16)26(15-27)23-21-14-19(24)10-9-18(21)13-22(25-23)17-5-3-2-4-6-17/h2-15H,1H3
InChIKeyZCXYVIXHLKHWHF-UHFFFAOYSA-N
MW356.40 g/mol
LogP5.64
Rot. Bonds4

About N-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide

N-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide (PubChem CID 102299845) has the molecular formula C23H17FN2O and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide.

Molecular Properties

Compound NameN-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide
PubChem CID102299845
Molecular FormulaC23H17FN2O
Molecular Weight356.40 g/mol
Exact Mass356.13
IUPAC NameN-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide
SMILESCc1ccc(N(C=O)c2nc(-c3ccccc3)cc3ccc(F)cc23)cc1
InChIInChI=1S/C23H17FN2O/c1-16-7-11-20(12-8-16)26(15-27)23-21-14-19(24)10-9-18(21)13-22(25-23)17-5-3-2-4-6-17/h2-15H,1H3
InChIKeyZCXYVIXHLKHWHF-UHFFFAOYSA-N
XLogP5.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.40
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N-phenylformamide
CID 11063734
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine
CID 162640165
9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine
CID 22333303
1-methyl-3-phenylisoquinoline
CID 10376139
4-fluoro-2-methyl-6-phenylpyridine
CID 131074497
N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842311
1,2-dicyclohexyl-1-(6-fluoro-3-phenylisoquinolin-1-yl)-3-(4-methylphenyl)sulfonylguanidine
CID 53496189
2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyridine-3-carbaldehyde
CID 21471454
3-hydroxy-1-(7-methyl-3-phenylisoquinolin-1-yl)-3-phenylcyclobutane-1-carbaldehyde
CID 176907624
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
1-methyl-1-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 780059

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide?
The IUPAC name of N-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide (CID 102299845) is N-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide.
What is the SMILES notation for N-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide?
The canonical SMILES for N-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide is Cc1ccc(N(C=O)c2nc(-c3ccccc3)cc3ccc(F)cc23)cc1.
What is the InChIKey of N-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide?
The InChIKey is ZCXYVIXHLKHWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O/c1-16-7-11-20(12-8-16)26(15-27)23-21-14-19(24)10-9-18(21)13-22(25-23)17-5-3-2-4-6-17/h2-15H,1H3.
What are the key properties of N-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide?
N-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide has a molecular weight of 356.40 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-3-phenylisoquinolin-1-yl)-N-(4-methylphenyl)formamide is sourced from PubChem (CID 102299845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).