4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide

C23H18ClFN2O — CID 10271858

IUPAC4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(C2=NCCc3ccc(Cl)cc32)cc1
InChIInChI=1S/C23H18ClFN2O/c24-19-9-8-16-10-11-26-22(21(16)13-19)17-4-6-18(7-5-17)23(28)27-14-15-2-1-3-20(25)12-15/h1-9,12-13H,10-11,14H2,(H,27,28)
InChIKeyBFKCEAJQTPILJB-UHFFFAOYSA-N
MW392.86 g/mol
LogP4.80
Rot. Bonds4

About 4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide

4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 10271858) has the molecular formula C23H18ClFN2O and a molecular weight of 392.86 g/mol. Its IUPAC name is 4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID10271858
Molecular FormulaC23H18ClFN2O
Molecular Weight392.86 g/mol
Exact Mass392.11
IUPAC Name4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(C2=NCCc3ccc(Cl)cc32)cc1
InChIInChI=1S/C23H18ClFN2O/c24-19-9-8-16-10-11-26-22(21(16)13-19)17-4-6-18(7-5-17)23(28)27-14-15-2-1-3-20(25)12-15/h1-9,12-13H,10-11,14H2,(H,27,28)
InChIKeyBFKCEAJQTPILJB-UHFFFAOYSA-N
XLogP4.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide (CID 10271858) is 4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide is O=C(NCc1cccc(F)c1)c1ccc(C2=NCCc3ccc(Cl)cc32)cc1.
What is the InChIKey of 4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is BFKCEAJQTPILJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O/c24-19-9-8-16-10-11-26-22(21(16)13-19)17-4-6-18(7-5-17)23(28)27-14-15-2-1-3-20(25)12-15/h1-9,12-13H,10-11,14H2,(H,27,28).
What are the key properties of 4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide?
4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 392.86 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-3,4-dihydroisoquinolin-1-yl)-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 10271858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).