ChemDB: Chemical Search
Download
Chemical ID: 7265199
Chemical ID:
7265199
Name [?]:
2-chloro-N-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylmethyl)benzamide
SMILES [?]:
c1ccc2c(c1)CCN(C2)C(=O)CNC(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C18H17ClN2O2/c19-16-8-4-3-7-15(16)18(23)20-11-17(22)21-10-9-13-5-1-2-6-14(13)12-21/h1-8H,9-12H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,19,20,6,3,18,21,7,8,13,10,5,4,17,22,11,15,23,14,9,12,16/rA:23nCCCCCCCCNCCOCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s9;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17ClN2O2 |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2462 |
Area: | 526.169 |
Solvation: | -2.90802 |
Coulombic: | -40.1734 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 328.793 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.92 |
LogP (Chemaxon): | 2.39 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|