Chemical ID: 4366570

CCN(CC)C(=O)C(=Cc1ccccc1)NC(=O)c2ccccc2Cl
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

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