Chemical ID: 6961074

CCOc1ccc(cc1Cl)C(=O)Nc2cccc(c2)N3C(=O)c4ccccc4C3=O
Chemical ID:
6961074
Name [?]:
3-chloro-N-[3-(1,3-dioxoisoindolin-2-yl)phenyl]-4-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2cccc(c2)N3C(=O)c4ccccc4C3=O
InChi [?]:
InChI=1/C23H17ClN2O4/c1-2-30-20-11-10-14(12-19(20)24)21(27)25-15-6-5-7-16(13-15)26-22(28)17-8-3-4-9-18(17)23(26)29/h3-13H,2H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,25,26,16,15,17,24,27,6,5,8,19,7,14,18,23,28,9,4,11,21,29,10,13,20,12,22,30,3/E:(3,4)(8,9)(17,18)(22,23)(28,29)/rA:30nCCOCCCCCCClCONCCCCCCNCOCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;d24;s25;d26;d23s27;s20s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17ClN2O4
All Atoms:47
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.7263
Area:639.069
Solvation:-4.25046
Coulombic:-56.4512
Bond Count [?]
All:33
Single:21
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:420.845
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.63
LogP (Chemaxon):3.97

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Descriptor Annotations

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