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Chemical ID: 4366570
Chemical ID:
4366570
Name [?]:
2-chloro-N-[1-(diethylcarbamoyl)-2-phenyl-vinyl]-benzamide
SMILES [?]:
CCN(CC)C(=O)C(=Cc1ccccc1)NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C20H21ClN2O2/c1-3-23(4-2)20(25)18(14-15-10-6-5-7-11-15)22-19(24)16-12-8-9-13-17(16)21/h5-14H,3-4H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,12,14,21,22,11,15,20,23,9,10,19,24,8,17,6,25,16,3,18,7/E:(1,2)(3,4)(6,7)(10,11)/rA:25nCCNCCCOCCCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;s3;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21ClN2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.83245 |
Area: | 529.143 |
Solvation: | -3.39613 |
Coulombic: | -41.287 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 356.846 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.61 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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