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Chemical ID: 4411026
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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