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Chemical ID: 4747696
Chemical ID:
4747696
Name [?]:
2-benzamido-N-(4-fluorophenyl)-benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C20H15FN2O2/c21-15-10-12-16(13-11-15)22-20(25)17-8-4-5-9-18(17)23-19(24)14-6-2-1-3-7-14/h1-13H,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,3,5,14,11,21,23,20,24,4,22,19,15,10,7,16,25,18,9,8,17/E:(2,3)(6,7)(10,11)(12,13)/rA:25nCCCCCCCONCCCCCCCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15FN2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94342 |
Area: | 528.064 |
Solvation: | -3.25817 |
Coulombic: | -49.0691 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.344 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.55 |
LogP (Chemaxon): | 4.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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