Chemical ID: 6304404

Cc1c(n(c2c1cc(cc2)C(=O)Nc3ccc(cc3F)Br)C)C
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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