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Chemical ID: 4483501
Chemical ID:
4483501
Name [?]:
4-cyano-N-(4-diethylamino-2-methyl-phenyl)-2-fluoro-benzamide
SMILES [?]:
CCN(CC)c1ccc(c(c1)C)NC(=O)c2ccc(cc2F)C#N
InChi [?]:
InChI=1/C19H20FN3O/c1-4-23(5-2)15-7-9-18(13(3)10-15)22-19(24)16-8-6-14(12-21)11-17(16)20/h6-11H,4-5H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,12,2,4,18,7,17,8,11,20,23,10,19,6,16,21,9,14,22,24,13,3,15/E:(1,2)(4,5)/rA:24nCCNCCCCCCCCCNCOCCCCCCFCN/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s10;s9;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s19;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20FN3O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.50719 |
Area: | 549.632 |
Solvation: | -4.2336 |
Coulombic: | -33.124 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.16 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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