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Chemical ID: 5976330
Chemical ID:
5976330
Name [?]:
5-(3,5-dichlorobenzoyl)amino-2-dimethylamino-N-(1-phenylethyl)benzamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(ccc2N(C)C)NC(=O)c3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C24H23Cl2N3O2/c1-15(16-7-5-4-6-8-16)27-24(31)21-14-20(9-10-22(21)29(2)3)28-23(30)17-11-18(25)13-19(26)12-17/h4-15H,1-3H3,(H,27,31)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,19,20,6,5,7,4,8,15,16,25,29,27,13,2,3,24,26,28,14,12,17,22,10,31,30,9,21,18,23,11/E:(2,3)(5,6)(7,8)(11,12)(18,19)(25,26)/rA:31cCCCCCCCCNCOCCCCCCNCCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s18;s14;s21;d22;s22;s24;d25;s26;d27;d24s28;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23Cl2N3O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.3908 |
Area: | 704.158 |
Solvation: | -4.21315 |
Coulombic: | -50.5311 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 456.364 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.09 |
LogP (Chemaxon): | 5.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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