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Chemical ID: 4360082
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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