Chemical ID: 6430854

Cc1ccc(cc1)C=C(C(=O)OC)NC(=O)c2ccc(cc2)Cl
Chemical ID:
6430854
Name [?]:
methyl 2-(4-chlorobenzoyl)amino-3-(p-tolyl)prop-2-enoate
SMILES [?]:
Cc1ccc(cc1)C=C(C(=O)OC)NC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H16ClNO3/c1-12-3-5-13(6-4-12)11-16(18(22)23-2)20-17(21)14-7-9-15(19)10-8-14/h3-11H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,13,3,7,4,6,18,22,19,21,8,2,5,17,20,9,15,10,23,14,16,11,12/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCCCOOCNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;s9;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClNO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.91605
Area:532.565
Solvation:-3.39807
Coulombic:-43.6335
Bond Count [?]
All:24
Single:15
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:329.777
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.59
LogP (Chemaxon):3.69

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