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Chemical ID: 7357426
Chemical ID:
7357426
Name [?]:
N-(4-chloro-2-fluoro-phenyl)-2-(4-chlorophenyl)amino-acetamide
SMILES [?]:
c1cc(ccc1NCC(=O)Nc2ccc(cc2F)Cl)Cl
InChi [?]:
InChI=1/C14H11Cl2FN2O/c15-9-1-4-11(5-2-9)18-8-14(20)19-13-6-3-10(16)7-12(13)17/h1-7,18H,8H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:2,4,14,1,5,13,16,8,3,15,6,17,12,9,20,19,18,7,11,10/E:(1,2)(4,5)/rA:20nCCCCCCNCCONCCCCCCFClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2FN2O |
All Atoms: | 31 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75503 |
Area: | 504.174 |
Solvation: | -2.84933 |
Coulombic: | -37.9372 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 313.154 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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