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Chemical ID: 5520144
Chemical ID:
5520144
Name [?]:
2-[(2,4-dichlorophenyl)carbamoylmethyl-propyl-amino]-N-(m-tolyl)acetamide
SMILES [?]:
CCCN(CC(=O)Nc1cccc(c1)C)CC(=O)Nc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C20H23Cl2N3O2/c1-3-9-25(12-19(26)23-16-6-4-5-14(2)10-16)13-20(27)24-18-8-7-15(21)11-17(18)22/h4-8,10-11H,3,9,12-13H2,1-2H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,15,2,11,12,10,22,21,3,14,24,5,16,13,23,9,25,20,6,17,27,26,8,19,4,7,18/rA:27cCCCNCCONCCCCCCCCCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s4;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23Cl2N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.9942 |
Area: | 655.716 |
Solvation: | -4.39871 |
Coulombic: | -46.8236 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 408.321 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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