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Chemical ID: 7363291
Chemical ID:
7363291
Name [?]:
N-(4-bromo-2-fluoro-phenyl)-2-(2-naphthylamino)acetamide
SMILES [?]:
c1ccc2cc(ccc2c1)NCC(=O)Nc3ccc(cc3F)Br
InChi [?]:
InChI=1/C18H14BrFN2O/c19-14-6-8-17(16(20)10-14)22-18(23)11-21-15-7-5-12-3-1-2-4-13(12)9-15/h1-10,21H,11H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,18,7,17,5,20,12,9,4,19,6,21,16,13,23,22,11,15,14/rA:23nCCCCCCCCCCNCCONCCCCCCFBr/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14BrFN2O |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0532 |
Area: | 523.731 |
Solvation: | -3.04009 |
Coulombic: | -38.3702 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 373.219 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.63 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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