Chemical ID: 4483501

CCN(CC)c1ccc(c(c1)C)NC(=O)c2ccc(cc2F)C#N
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

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