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Chemical ID: 6158149
Chemical ID:
6158149
Name [?]:
N-(3,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide
SMILES [?]:
CC(C)C(=O)Nc1cccc(c1)C(=O)Nc2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C17H16Cl2N2O2/c1-10(2)16(22)20-14-5-3-4-11(6-14)17(23)21-15-8-12(18)7-13(19)9-15/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,9,10,8,12,19,17,21,2,11,18,20,7,16,4,13,23,22,6,15,5,14/E:(1,2)(8,9)(12,13)(18,19)/rA:23nCCCCONCCCCCCCONCCCCCCClCl/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16Cl2N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0753 |
Area: | 563.863 |
Solvation: | -3.0213 |
Coulombic: | -42.5086 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.227 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.04 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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