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Chemical ID: 5744646
Chemical ID:
5744646
Name [?]:
2-(2-acetyl-4-chloro-phenoxy)-N-(isopropylcarbamoyl)acetamide
SMILES [?]:
CC(C)NC(=O)NC(=O)COc1ccc(cc1C(=O)C)Cl
InChi [?]:
InChI=1/C14H17ClN2O4/c1-8(2)16-14(20)17-13(19)7-21-12-5-4-10(15)6-11(12)9(3)18/h4-6,8H,7H2,1-3H3,(H2,16,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,20,14,13,16,10,2,18,15,17,12,8,5,21,4,7,19,9,6,11/E:(1,2)/rA:21nCCCNCONCOCOCCCCCCCOCCl/rB:s1;s2;s2;s4;d5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17ClN2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.90021 |
Area: | 525.491 |
Solvation: | -8.23705 |
Coulombic: | -52.9265 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 312.749 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.54 |
LogP (Chemaxon): | 1.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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