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Chemical ID: 6304404
Chemical ID:
6304404
Name [?]:
N-(4-bromo-2-fluoro-phenyl)-1,2,3-trimethyl-indole-5-carboxamide
SMILES [?]:
Cc1c(n(c2c1cc(cc2)C(=O)Nc3ccc(cc3F)Br)C)C
InChi [?]:
InChI=1/C18H16BrFN2O/c1-10-11(2)22(3)17-7-4-12(8-14(10)17)18(23)21-16-6-5-13(19)9-15(16)20/h4-9H,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,9,16,15,10,7,18,2,3,8,17,6,19,14,5,11,21,20,13,4,12/rA:23nCCCNCCCCCCCONCCCCCCFBrCC/rB:s1;d2;s3;s4;s2s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16BrFN2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.335 |
Area: | 518.368 |
Solvation: | -2.62421 |
Coulombic: | -31.5186 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 375.235 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.79 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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