Chemical ID: 7265199

c1ccc2c(c1)CCN(C2)C(=O)CNC(=O)c3ccccc3Cl
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

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