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Chemical ID: 4211285
Chemical ID:
4211285
Name [?]:
3-butoxy-N-(2-fluorophenyl)-benzamide
SMILES [?]:
CCCCOc1cccc(c1)C(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C17H18FNO2/c1-2-3-11-21-14-8-6-7-13(12-14)17(20)19-16-10-5-4-9-15(16)18/h4-10,12H,2-3,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,18,17,8,9,7,19,16,4,11,10,6,20,15,12,21,14,13,5/rA:21nCCCCOCCCCCCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19641 |
Area: | 503.194 |
Solvation: | -3.38344 |
Coulombic: | -35.1683 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.42 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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