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Chemical ID: 4417530
Chemical ID:
4417530
Name [?]:
isobutyl 4-(2,4-dichlorobenzoyl)aminobenzoate
SMILES [?]:
CC(C)COC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C18H17Cl2NO3/c1-11(2)10-24-18(23)12-3-6-14(7-4-12)21-17(22)15-8-5-13(19)9-16(15)20/h3-9,11H,10H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,9,13,19,10,12,18,21,4,2,8,20,11,17,22,15,6,24,23,14,16,7,5/E:(1,2)(3,4)(6,7)/rA:24nCCCCOCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17Cl2NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8151 |
Area: | 587.244 |
Solvation: | -2.86599 |
Coulombic: | -43.0447 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.238 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.25 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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