Chemical ID: 4358962

CCOc1ccc(cc1Cl)C(=O)Nc2ccc(cc2C)I
Chemical ID:
4358962
Name [?]:
3-chloro-4-ethoxy-N-(4-iodo-2-methyl-phenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2ccc(cc2C)I
InChi [?]:
InChI=1/C16H15ClINO2/c1-3-21-15-7-4-11(9-13(15)17)16(20)19-14-6-5-12(18)8-10(14)2/h4-9H,3H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,6,16,15,5,18,8,19,7,17,9,14,4,11,10,21,13,12,3/rA:21nCCOCCCCCCClCONCCCCCCCI/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClINO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.4928
Area:538.598
Solvation:-2.97211
Coulombic:-29.9573
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:415.653
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.25
LogP (Chemaxon):4.52

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