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Chemical ID: 7423284
Chemical ID:
7423284
Name [?]:
N-(5-fluoro-2-methyl-phenyl)-2-(4-formyl-2-methoxy-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)COc2ccc(cc2OC)C=O)F
InChi [?]:
InChI=1/C17H16FNO4/c1-11-3-5-13(18)8-14(11)19-17(21)10-23-15-6-4-12(9-20)7-16(15)22-2/h3-9H,10H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,3,15,4,14,17,6,21,11,2,16,5,7,13,18,9,23,8,22,10,19,12/rA:23nCCCCCCCNCOCOCCCCCCOCCOF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;d21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16FNO4 |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.41324 |
Area: | 521.473 |
Solvation: | -8.62357 |
Coulombic: | -43.7654 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 317.312 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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