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Chemical ID: 7038841
Chemical ID:
7038841
Name [?]:
N-[(3-ethoxyphenyl)-(2-fluorobenzoyl)amino-methyl]-2-fluoro-benzamide
SMILES [?]:
CCOc1cccc(c1)C(NC(=O)c2ccccc2F)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C23H20F2N2O3/c1-2-30-16-9-7-8-15(14-16)21(26-22(28)17-10-3-5-12-19(17)24)27-23(29)18-11-4-6-13-20(18)25/h3-14,21H,2H2,1H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,2,16,26,17,27,6,7,5,15,25,18,28,9,8,4,14,24,19,29,10,12,22,20,30,11,21,13,23,3/E:(3,4)(5,6)(10,11)(12,13)(17,18)(19,20)(22,23)(24,25)(26,27)(28,29)/gE:(1,2)/rA:30nCCOCCCCCCCNCOCCCCCCFNCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s10;s21;d22;s22;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20F2N2O3 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.04381 |
Area: | 630.969 |
Solvation: | -7.73041 |
Coulombic: | -57.7846 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 410.413 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.25 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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