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Chemical ID: 5646309
Chemical ID:
5646309
Name [?]:
5-bromo-3-methyl-N-(2-naphthyl)benzofuran-2-carboxamide
SMILES [?]:
Cc1c2cc(ccc2oc1C(=O)Nc3ccc4ccccc4c3)Br
InChi [?]:
InChI=1/C20H14BrNO2/c1-12-17-11-15(21)7-9-18(17)24-19(12)20(23)22-16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,16,6,15,7,23,4,2,17,22,5,14,3,8,10,11,24,13,12,9/rA:24nCCCCCCCCOCCONCCCCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;d15;s16;s17;d18;s19;d20;d17s21;d14s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14BrNO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1411 |
Area: | 525.228 |
Solvation: | -1.98957 |
Coulombic: | -33.1024 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 380.235 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.26 |
LogP (Chemaxon): | 5.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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