Chemical ID: 4411026

CCOc1ccc(cc1Cl)C(=O)Nc2ccc(cc2F)F
Chemical ID:
4411026
Name [?]:
3-chloro-N-(2,4-difluorophenyl)-4-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C15H12ClF2NO2/c1-2-21-14-6-3-9(7-11(14)16)15(20)19-13-5-4-10(17)8-12(13)18/h3-8H,2H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,15,5,8,18,7,17,9,19,14,4,11,10,21,20,13,12,3/rA:21nCCOCCCCCCClCONCCCCCCFF/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:C15H12ClF2NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.75959
Area:485.364
Solvation:-4.3745
Coulombic:-36.5208
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.711
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.28
LogP (Chemaxon):3.34

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