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Chemical ID: 4514729
Chemical ID:
4514729
Name [?]:
N-[4-(4-chlorophenoxy)phenyl]-2-dimethylamino-acetamide
SMILES [?]:
CN(C)CC(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H17ClN2O2/c1-19(2)11-16(20)18-13-5-9-15(10-6-13)21-14-7-3-12(17)4-8-14/h3-10H,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,17,19,9,13,16,20,10,12,4,18,8,15,11,5,21,7,2,6,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:21nCNCCCONCCCCCCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17ClN2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16609 |
Area: | 507.885 |
Solvation: | -3.53103 |
Coulombic: | -33.6913 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.771 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.9 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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