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Chemical ID: 7286389
Chemical ID:
7286389
Name [?]:
2-(2,5-dichlorophenoxy)-N-(3-ethoxypropylcarbamoyl)acetamide
SMILES [?]:
CCOCCCNC(=O)NC(=O)COc1cc(ccc1Cl)Cl
InChi [?]:
InChI=1/C14H18Cl2N2O4/c1-2-21-7-3-6-17-14(20)18-13(19)9-22-12-8-10(15)4-5-11(12)16/h4-5,8H,2-3,6-7,9H2,1H3,(H2,17,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,5,18,19,6,4,16,13,17,20,15,11,8,22,21,7,10,12,9,3,14/rA:22nCCOCCCNCONCOCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18Cl2N2O4 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.20006 |
Area: | 589.446 |
Solvation: | -7.53609 |
Coulombic: | -55.9464 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 349.209 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.03 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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