3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide

C23H17FN2O — CID 7439016

IUPAC3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccccc2)c2ccncc12)c1cccc(F)c1
InChIInChI=1S/C23H17FN2O/c24-19-8-4-7-17(13-19)23(27)26-14-18-9-10-20(16-5-2-1-3-6-16)21-11-12-25-15-22(18)21/h1-13,15H,14H2,(H,26,27)
InChIKeyULMZEBJWNIQEJC-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.97
Rot. Bonds4

About 3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide

3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide (PubChem CID 7439016) has the molecular formula C23H17FN2O and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide
PubChem CID7439016
Molecular FormulaC23H17FN2O
Molecular Weight356.40 g/mol
Exact Mass356.13
IUPAC Name3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccccc2)c2ccncc12)c1cccc(F)c1
InChIInChI=1S/C23H17FN2O/c24-19-8-4-7-17(13-19)23(27)26-14-18-9-10-20(16-5-2-1-3-6-16)21-11-12-25-15-22(18)21/h1-13,15H,14H2,(H,26,27)
InChIKeyULMZEBJWNIQEJC-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7327457
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-phenylpyridine-4-carboxamide
CID 118916588
4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide
CID 118928930
3-[8-[[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]methyl]isoquinolin-5-yl]benzoic acid
CID 130446727
N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
CID 42797597
5-bromo-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpyridine-3-carboxamide
CID 118916591
1-benzyl-3-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]urea
CID 7362545
5-(fluoromethyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 138510401
2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7287962
methyl 3-[8-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]methyl]isoquinolin-5-yl]benzoate
CID 130446689
3-[8-[[(2,3-dichlorophenyl)carbamoylamino]methyl]isoquinolin-5-yl]benzoic acid
CID 138503557
N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 141359253

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide (CID 7439016) is 3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide is O=C(NCc1ccc(-c2ccccc2)c2ccncc12)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide?
The InChIKey is ULMZEBJWNIQEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O/c24-19-8-4-7-17(13-19)23(27)26-14-18-9-10-20(16-5-2-1-3-6-16)21-11-12-25-15-22(18)21/h1-13,15H,14H2,(H,26,27).
What are the key properties of 3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide?
3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide has a molecular weight of 356.40 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide is sourced from PubChem (CID 7439016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).