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Chemical ID: 6156787
Chemical ID:
6156787
Name [?]:
ethyl 2-[2-(4-chlorophenoxy)-2-methyl-propanoyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccccc1NC(=O)C(C)(C)Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C19H20ClNO4/c1-4-24-17(22)15-7-5-6-8-16(15)21-18(23)19(2,3)25-14-11-9-13(20)10-12-14/h5-12H,4H2,1-3H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,16,17,2,8,9,7,10,21,23,20,24,22,19,6,11,4,13,15,25,12,5,14,3,18/E:(2,3)(9,10)(11,12)/rA:25nCCOCOCCCCCCNCOCCCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;s15;s15;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClNO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5246 |
Area: | 567.541 |
Solvation: | -3.66393 |
Coulombic: | -51.2156 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.819 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.72 |
LogP (Chemaxon): | 4.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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