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Chemical ID: 6764403
Chemical ID:
6764403
Name [?]:
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)c2ccc(cc2)OC(F)F
InChi [?]:
InChI=1/C16H14F2N2O3/c1-10(21)19-12-4-6-13(7-5-12)20-15(22)11-2-8-14(9-3-11)23-16(17)18/h2-9,16H,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,15,19,6,10,7,9,16,18,2,14,5,8,17,12,21,22,23,4,11,3,13,20/E:(2,3)(4,5)(6,7)(8,9)(17,18)/rA:23nCCONCCCCCCNCOCCCCCCOCFF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14F2N2O3 |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.62573 |
Area: | 503.977 |
Solvation: | -4.9737 |
Coulombic: | -59.7563 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.291 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.45 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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