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Chemical ID: 7258827
Chemical ID:
7258827
Name [?]:
2-[(4-chlorophenyl)carbamoylmethyl-methyl-amino]-N-(2,6-diethylphenyl)-acetamide
SMILES [?]:
CCc1cccc(c1NC(=O)CN(C)CC(=O)Nc2ccc(cc2)Cl)CC
InChi [?]:
InChI=1/C21H26ClN3O2/c1-4-15-7-6-8-16(5-2)21(15)24-20(27)14-25(3)13-19(26)23-18-11-9-17(22)10-12-18/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,27,14,2,26,5,4,6,21,23,20,24,15,12,3,7,22,19,16,10,8,25,18,9,13,17,11/E:(1,2)(4,5)(7,8)(9,10)(11,12)(15,16)/rA:27cCCCCCCCCNCOCNCCCONCCCCCCClCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s13;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s7;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26ClN3O2 |
All Atoms: | 53 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8389 |
Area: | 632.726 |
Solvation: | -4.97925 |
Coulombic: | -46.0309 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 387.903 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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