Chemical ID: 4417530

CC(C)COC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2Cl)Cl
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

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