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Chemical ID: 7020439
Chemical ID:
7020439
Name [?]:
N-[(2-fluorophenyl)-(3-methylbenzoyl)amino-methyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NC(c2ccccc2F)NC(=O)c3cccc(c3)C
InChi [?]:
InChI=1/C23H21FN2O2/c1-15-7-5-9-17(13-15)22(27)25-21(19-11-3-4-12-20(19)24)26-23(28)18-10-6-8-16(2)14-18/h3-14,21H,1-2H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,28,14,15,4,24,3,25,5,23,13,16,7,27,2,26,6,22,12,17,11,8,20,18,10,19,9,21/E:(1,2)(5,6)(7,8)(9,10)(13,14)(15,16)(17,18)(22,23)(25,26)(27,28)/gE:(1,2)/rA:28cCCCCCCCCONCCCCCCCFNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s11;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21FN2O2 |
All Atoms: | 49 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9242 |
Area: | 600.053 |
Solvation: | -4.07713 |
Coulombic: | -50.1806 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 376.424 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.63 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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