Chemical ID: 7328668

COc1cc(cc(c1OC)OC)NC(=O)c2ccc(cc2Cl)F
Chemical ID:
7328668
Name [?]:
2-chloro-4-fluoro-N-(3,4,5-trimethoxyphenyl)-benzamide
SMILES [?]:
COc1cc(cc(c1OC)OC)NC(=O)c2ccc(cc2Cl)F
InChi [?]:
InChI=1/C16H15ClFNO4/c1-21-13-7-10(8-14(22-2)15(13)23-3)19-16(20)11-5-4-9(18)6-12(11)17/h4-8H,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,12,10,18,17,20,4,6,19,5,16,21,3,7,8,14,22,23,13,15,2,11,9/E:(1,2)(7,8)(13,14)(21,22)/rA:23nCOCCCCCCOCOCNCOCCCCCCClF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClFNO4
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:5.4924
Area:510.484
Solvation:-7.26971
Coulombic:-45.3188
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:339.746
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.12
LogP (Chemaxon):3.0

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