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Chemical ID: 6342302
Chemical ID:
6342302
Name [?]:
ethyl 2-[2-(4-chlorophenoxy)acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccccc1NC(=O)COc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H16ClNO4/c1-2-22-17(21)14-5-3-4-6-15(14)19-16(20)11-23-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,7,10,19,21,18,22,15,20,17,6,11,13,4,23,12,14,5,3,16/E:(7,8)(9,10)/rA:23nCCOCOCCCCCCNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClNO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58266 |
Area: | 553.196 |
Solvation: | -4.24724 |
Coulombic: | -49.3274 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.766 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.09 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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