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Chemical ID: 5724620
Chemical ID:
5724620
Name [?]:
N-(2,4-dichlorophenyl)-2,4-dimethyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)C)C(=O)Nc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO/c1-9-3-5-12(10(2)7-9)15(19)18-14-6-4-11(16)8-13(14)17/h3-8H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,3,14,4,13,7,16,2,6,15,5,17,12,9,19,18,11,10/rA:19nCCCCCCCCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6199 |
Area: | 477.842 |
Solvation: | -1.3262 |
Coulombic: | -24.2568 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 294.175 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.11 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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