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Chemical ID: 6529106
Chemical ID:
6529106
Name [?]:
N-[2-[ethyl-(4-fluorobenzoyl)-amino]ethyl]-4-fluoro-benzamide
SMILES [?]:
CCN(CCNC(=O)c1ccc(cc1)F)C(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C18H18F2N2O2/c1-2-22(18(24)14-5-9-16(20)10-6-14)12-11-21-17(23)13-3-7-15(19)8-4-13/h3-10H,2,11-12H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,10,14,19,23,11,13,20,22,5,4,9,18,12,21,7,16,15,24,6,3,8,17/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCNCCNCOCCCCCCFCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s3;d16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18F2N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83841 |
Area: | 539.226 |
Solvation: | -4.64224 |
Coulombic: | -47.4183 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 332.345 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.53 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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