4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

C16H15FN2O — CID 63901349

IUPAC4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c17-14-4-1-12(2-5-14)16(20)19-15-6-3-11-7-8-18-10-13(11)9-15/h1-6,9,18H,7-8,10H2,(H,19,20)
InChIKeyPGZJYUJKVGSJFI-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.72
Rot. Bonds2

About 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (PubChem CID 63901349) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
PubChem CID63901349
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CNCC2)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O/c17-14-4-1-12(2-5-14)16(20)19-15-6-3-11-7-8-18-10-13(11)9-15/h1-6,9,18H,7-8,10H2,(H,19,20)
InChIKeyPGZJYUJKVGSJFI-UHFFFAOYSA-N
XLogP2.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6(5H)-Phenanthridinone
CID 1853
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
PJ-34
CID 4858
T-226296
CID 9865843
6(5h)-Phenanthridinone, 2-amino-
CID 270668
N-(3,4-dimethylphenyl)-4-methylbenzamide
CID 668813
(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 9798466
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
CID 10216071
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}acetamide
CID 11202184
9-Amino-6H,11H-indeno[1,2-c]isoquinolin-5-one
CID 11288114
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11290531
1-{8-Oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}-3-propylurea
CID 11336543

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The IUPAC name of 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide (CID 63901349) is 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is O=C(Nc1ccc2c(c1)CNCC2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
The InChIKey is PGZJYUJKVGSJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-14-4-1-12(2-5-14)16(20)19-15-6-3-11-7-8-18-10-13(11)9-15/h1-6,9,18H,7-8,10H2,(H,19,20).
What are the key properties of 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide?
4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide has a molecular weight of 270.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide is sourced from PubChem (CID 63901349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).