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Chemical ID: 5416817
Chemical ID:
5416817
Name [?]:
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)C)C(=O)NCc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H15Cl2NO/c1-10-3-6-14(11(2)7-10)16(20)19-9-12-4-5-13(17)8-15(12)18/h3-8H,9H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,8,3,14,15,4,7,17,12,2,6,13,16,5,18,9,20,19,11,10/rA:20nCCCCCCCCCONCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9659 |
Area: | 504.918 |
Solvation: | -1.65706 |
Coulombic: | -24.9845 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.202 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.26 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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