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Chemical ID: 5791813
Chemical ID:
5791813
Name [?]:
heptyl 4-(4-chlorobenzoyl)aminobenzoate
SMILES [?]:
CCCCCCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C21H24ClNO3/c1-2-3-4-5-6-15-26-21(25)17-9-13-19(14-10-17)23-20(24)16-7-11-18(22)12-8-16/h7-14H,2-6,15H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,21,25,12,16,22,24,13,15,7,20,11,23,14,18,9,26,17,19,10,8/E:(7,8)(9,10)(11,12)(13,14)/rA:26nCCCCCCCOCOCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24ClNO3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7696 |
Area: | 654.374 |
Solvation: | -2.58974 |
Coulombic: | -44.7334 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 373.873 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.61 |
LogP (Chemaxon): | 5.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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