Chemical ID: 4360082

CCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(c(c2)Cl)OCC
Chemical ID:
4360082
Name [?]:
propyl 4-(3-chloro-4-ethoxy-benzoyl)aminobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(c(c2)Cl)OCC
InChi [?]:
InChI=1/C19H20ClNO4/c1-3-11-25-19(23)13-5-8-15(9-6-13)21-18(22)14-7-10-17(24-4-2)16(20)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,8,12,17,9,11,18,3,21,7,16,10,20,19,14,5,22,13,15,6,23,4/E:(5,6)(8,9)/rA:25nCCCOCOCCCCCCNCOCCCCCCClOCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s19;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20ClNO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1287
Area:607.149
Solvation:-4.05004
Coulombic:-49.7812
Bond Count [?]
All:26
Single:18
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:361.819
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.67
LogP (Chemaxon):4.07

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