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Chemical ID: 6322956
Chemical ID:
6322956
Name [?]:
2,5-dichloro-N-(4-ethylphenyl)-benzamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO/c1-2-10-3-6-12(7-4-10)18-15(19)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,15,5,7,16,13,3,14,6,12,17,10,19,18,9,11/E:(3,4)(6,7)/rA:19nCCCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96639 |
Area: | 482.018 |
Solvation: | -2.08405 |
Coulombic: | -23.1701 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.175 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.14 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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