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Chemical ID: 6516830
Chemical ID:
6516830
Name [?]:
N'-[(2-chloro-6-fluoro-phenyl)methyl]-N-phenyl-benzene-1,4-diamine
SMILES [?]:
c1ccc(cc1)Nc2ccc(cc2)NCc3c(cccc3Cl)F
InChi [?]:
InChI=1/C19H16ClFN2/c20-18-7-4-8-19(21)17(18)13-22-14-9-11-16(12-10-14)23-15-5-2-1-3-6-15/h1-12,22-23H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,19,3,5,20,18,10,12,9,13,15,11,4,8,16,21,17,22,23,14,7/E:(2,3)(5,6)(9,10)(11,12)/rA:23nCCCCCCNCCCCCCNCCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s21;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16ClFN2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.619 |
Area: | 528.619 |
Solvation: | -2.59646 |
Coulombic: | -29.5563 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.795 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 5.37 |
LogP (Chemaxon): | 5.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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