Chemical ID: 5744646

CC(C)NC(=O)NC(=O)COc1ccc(cc1C(=O)C)Cl
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

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Descriptor Annotations

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