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Chemical ID: 4148205
Chemical ID:
4148205
Name [?]:
isobutyl 4-(3-chlorobenzoyl)aminobenzoate
SMILES [?]:
CC(C)COC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C18H18ClNO3/c1-12(2)11-23-18(22)13-6-8-16(9-7-13)20-17(21)14-4-3-5-15(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,19,18,20,9,13,10,12,22,4,2,8,17,21,11,15,6,23,14,16,7,5/E:(1,2)(6,7)(8,9)/rA:23nCCCCOCOCCCCCCNCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClNO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5994 |
Area: | 564.884 |
Solvation: | -2.52267 |
Coulombic: | -43.7899 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.793 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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