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Chemical ID: 6387039
Chemical ID:
6387039
Name [?]:
propyl 4-(2,5-dichlorobenzoyl)aminobenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C17H15Cl2NO3/c1-2-9-23-17(22)11-3-6-13(7-4-11)20-16(21)14-10-12(18)5-8-15(14)19/h3-8,10H,2,9H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,12,19,9,11,20,3,17,7,18,10,16,21,14,5,23,22,13,15,6,4/E:(3,4)(6,7)/rA:23nCCCOCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15Cl2NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2936 |
Area: | 567.052 |
Solvation: | -2.88269 |
Coulombic: | -42.6555 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.95 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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