Chemical ID: 5520144

CCCN(CC(=O)Nc1cccc(c1)C)CC(=O)Nc2ccc(cc2Cl)Cl
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

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