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Chemical ID: 5911332
Chemical ID:
5911332
Name [?]:
N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-furyl)methyl]-4-phenyl-benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccc(cc2)F)C(=O)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C26H22FNO2/c1-19-7-16-25(30-19)18-28(17-20-8-14-24(27)15-9-20)26(29)23-12-10-22(11-13-23)21-5-3-2-4-6-21/h2-16H,17-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,28,27,29,26,30,3,11,15,21,23,20,24,12,14,4,9,7,2,10,25,22,19,13,5,17,16,8,18,6/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:30nCCCCCOCNCCCCCCCFCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22FNO2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5356 |
Area: | 620.104 |
Solvation: | -3.96697 |
Coulombic: | -31.7782 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 399.457 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.02 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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