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Chemical ID: 7258830
Chemical ID:
7258830
Name [?]:
N-(2,3-dichlorophenyl)-2-[(2,6-dimethylphenyl)carbamoylmethyl-methyl-amino]-propanamide
SMILES [?]:
Cc1cccc(c1NC(=O)CN(C)C(C)C(=O)Nc2cccc(c2Cl)Cl)C
InChi [?]:
InChI=1/C20H23Cl2N3O2/c1-12-7-5-8-13(2)19(12)24-17(26)11-25(4)14(3)20(27)23-16-10-6-9-15(21)18(16)22/h5-10,14H,11H2,1-4H3,(H,23,27)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,27,15,13,4,21,3,5,22,20,11,2,6,14,23,19,9,24,7,16,26,25,18,8,12,10,17/E:(1,2)(7,8)(12,13)/rA:27cCCCCCCCNCOCNCCCCONCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s12;s14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23Cl2N3O2 |
All Atoms: | 50 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.1233 |
Area: | 624.473 |
Solvation: | -4.48851 |
Coulombic: | -46.9166 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 408.321 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.76 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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