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Chemical ID: 7328668
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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