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Chemical ID: 6826590
Chemical ID:
6826590
Name [?]:
N'-[2-(2-chlorophenyl)ethyl]-N-propyl-oxamide
SMILES [?]:
CCCNC(=O)C(=O)NCCc1ccccc1Cl
InChi [?]:
InChI=1/C13H17ClN2O2/c1-2-8-15-12(17)13(18)16-9-7-10-5-3-4-6-11(10)14/h3-6H,2,7-9H2,1H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,13,16,11,3,10,12,17,5,7,18,4,9,6,8/rA:18nCCCNCOCONCCCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17ClN2O2 |
All Atoms: | 35 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5084 |
Area: | 489.968 |
Solvation: | -1.74078 |
Coulombic: | -49.2356 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 268.739 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.16 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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