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Chemical ID: 4209087
Chemical ID:
4209087
Name [?]:
3-chloro-4-ethoxy-N-(2-fluorophenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C15H13ClFNO2/c1-2-20-14-8-7-10(9-11(14)16)15(19)18-13-6-4-3-5-12(13)17/h3-9H,2H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,18,15,6,5,8,7,9,19,14,4,11,10,20,13,12,3/rA:20nCCOCCCCCCClCONCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClFNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.42228 |
Area: | 478.111 |
Solvation: | -3.53049 |
Coulombic: | -34.45 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.72 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.11 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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