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Chemical ID: 5365091
Chemical ID:
5365091
Name [?]:
N-[(4-fluorophenyl)-(4-methoxybenzoyl)amino-methyl]-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)NC(c2ccc(cc2)F)NC(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C23H21FN2O4/c1-29-19-11-5-16(6-12-19)22(27)25-21(15-3-9-18(24)10-4-15)26-23(28)17-7-13-20(30-2)14-8-17/h3-14,21H,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,30,14,18,5,7,24,28,15,17,4,8,25,27,13,6,23,16,3,26,12,9,21,19,11,20,10,22,2,29/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12,13,14)(16,17)(19,20)(22,23)(25,26)(27,28)(29,30)/gE:(1,2)/rA:30nCOCCCCCCCONCCCCCCCFNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s12;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21FN2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18162 |
Area: | 640.283 |
Solvation: | -6.82545 |
Coulombic: | -62.6248 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 408.422 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.58 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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