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Chemical ID: 6131016
Chemical ID:
6131016
Name [?]:
N-(2-bromophenyl)-4-(difluoromethoxy)benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(cc2)OC(F)F)Br
InChi [?]:
InChI=1/C14H10BrF2NO2/c15-11-3-1-2-4-12(11)18-13(19)9-5-7-10(8-6-9)20-14(16)17/h1-8,14H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,15,12,14,10,13,4,5,8,17,20,18,19,7,9,16/E:(5,6)(7,8)(16,17)/rA:20nCCCCCCNCOCCCCCCOCFFBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10BrF2NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.00143 |
Area: | 450.729 |
Solvation: | -3.2668 |
Coulombic: | -42.6745 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 342.136 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.42 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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