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Chemical ID: 6367763
Chemical ID:
6367763
Name [?]:
N-(4-chloro-2-fluoro-phenyl)-2-(2-naphthyloxy)acetamide
SMILES [?]:
c1ccc2cc(ccc2c1)OCC(=O)Nc3ccc(cc3F)Cl
InChi [?]:
InChI=1/C18H13ClFNO2/c19-14-6-8-17(16(20)10-14)21-18(22)11-23-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H,11H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,18,7,17,5,20,12,9,4,19,6,21,16,13,23,22,15,14,11/rA:23nCCCCCCCCCCOCCONCCCCCCFCl/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: | C18H13ClFNO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.63592 |
Area: | 522.73 |
Solvation: | -4.43232 |
Coulombic: | -33.9588 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 329.752 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.72 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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