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Chemical ID: 7305458
Chemical ID:
7305458
Name [?]:
2-(4-bromophenyl)amino-N-(2-fluorophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CNc2ccc(cc2)Br)F
InChi [?]:
InChI=1/C14H12BrFN2O/c15-10-5-7-11(8-6-10)17-9-14(19)18-13-4-2-1-3-12(13)16/h1-8,17H,9H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,14,16,13,17,10,15,12,4,5,8,18,19,11,7,9/E:(5,6)(7,8)/rA:19nCCCCCCNCOCNCCCCCCBrF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12BrFN2O |
All Atoms: | 31 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.7668 |
Area: | 463.982 |
Solvation: | -2.83274 |
Coulombic: | -38.0977 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 323.16 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.37 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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