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Chemical ID: 7362902
Chemical ID:
7362902
Name [?]:
N-(2-bromophenyl)-2-(2,4-difluorophenyl)amino-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CNc2ccc(cc2F)F)Br
InChi [?]:
InChI=1/C14H11BrF2N2O/c15-10-3-1-2-4-12(10)19-14(20)8-18-13-6-5-9(16)7-11(13)17/h1-7,18H,8H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,14,13,16,10,15,4,17,5,12,8,20,19,18,11,7,9/rA:20nCCCCCCNCOCNCCCCCCFFBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11BrF2N2O |
All Atoms: | 31 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55239 |
Area: | 466.002 |
Solvation: | -4.09766 |
Coulombic: | -40.2211 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 341.151 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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