Chemical ID: 4148205

CC(C)COC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)Cl
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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