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Chemical ID: 4189380
Chemical ID:
4189380
Name [?]:
N-(4-benzamido-3-methyl-phenyl)-2-fluoro-benzamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2ccccc2)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C21H17FN2O2/c1-14-13-16(23-21(26)17-9-5-6-10-18(17)22)11-12-19(14)24-20(25)15-7-3-2-4-8-15/h2-13H,1H3,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,22,23,12,16,21,24,5,6,3,2,11,4,20,25,7,9,18,26,17,8,10,19/E:(3,4)(7,8)/rA:26nCCCCCCCNCOCCCCCCNCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s4;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17FN2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69417 |
Area: | 557.11 |
Solvation: | -4.23358 |
Coulombic: | -47.5547 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 348.37 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.93 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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