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Chemical ID: 7301752
Chemical ID:
7301752
Name [?]:
2-[(4-fluorophenyl)methoxy]-N-(2-morpholinophenyl)-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccccc2N3CCOCC3)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C24H23FN2O3/c25-19-11-9-18(10-12-19)17-30-23-8-4-1-5-20(23)24(28)26-21-6-2-3-7-22(21)27-13-15-29-16-14-27/h1-12H,13-17H2,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,12,13,2,6,11,14,3,25,29,26,28,17,21,18,20,23,24,27,5,10,15,4,7,30,9,16,8,19,22/E:(9,10)(11,12)(13,14)(15,16)/rA:30nCCCCCCCONCCCCCCNCCOCCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s19;s16s20;s4;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23FN2O3 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.26088 |
Area: | 627.042 |
Solvation: | -6.41518 |
Coulombic: | -48.7048 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 406.449 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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