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Chemical ID: 5976428
Chemical ID:
5976428
Name [?]:
2-dimethylamino-5-(3-fluorobenzoyl)amino-N-(2-methoxyethyl)benzamide
SMILES [?]:
CN(C)c1ccc(cc1C(=O)NCCOC)NC(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C19H22FN3O3/c1-23(2)17-8-7-15(12-16(17)19(25)21-9-10-26-3)22-18(24)13-5-4-6-14(20)11-13/h4-8,11-12H,9-10H2,1-3H3,(H,21,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,16,22,21,23,6,5,13,14,25,8,20,24,7,9,4,18,10,26,12,17,2,19,11,15/E:(1,2)/rA:26nCNCCCCCCCCONCCOCNCOCCCCCCF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;s15;s7;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22FN3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.27872 |
Area: | 584.829 |
Solvation: | -6.34201 |
Coulombic: | -59.0296 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 359.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.58 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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