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Chemical ID: 4327171
Chemical ID:
4327171
Name [?]:
butyl 4-(3-chloro-4-ethoxy-benzoyl)aminobenzoate
SMILES [?]:
CCCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(c(c2)Cl)OCC
InChi [?]:
InChI=1/C20H22ClNO4/c1-3-5-12-26-20(24)14-6-9-16(10-7-14)22-19(23)15-8-11-18(25-4-2)17(21)13-15/h6-11,13H,3-5,12H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,2,25,3,9,13,18,10,12,19,4,22,8,17,11,21,20,15,6,23,14,16,7,24,5/E:(6,7)(9,10)/rA:26nCCCCOCOCCCCCCNCOCCCCCCClOCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s20;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22ClNO4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.817 |
Area: | 634.147 |
Solvation: | -4.03666 |
Coulombic: | -50.1053 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 375.846 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.24 |
LogP (Chemaxon): | 4.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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