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Chemical ID: 4314275
Chemical ID:
4314275
Name [?]:
3-dimethylamino-N-(2-fluorophenyl)-benzamide
SMILES [?]:
CN(C)c1cccc(c1)C(=O)Nc2ccccc2F
InChi [?]:
InChI=1/C15H15FN2O/c1-18(2)12-7-5-6-11(10-12)15(19)17-14-9-4-3-8-13(14)16/h3-10H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,6,7,5,17,14,9,8,4,18,13,10,19,12,2,11/E:(1,2)/rA:19nCNCCCCCCCCONCCCCCCF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15FN2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60542 |
Area: | 446.787 |
Solvation: | -2.56425 |
Coulombic: | -33.4109 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 258.291 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.36 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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