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Chemical ID: 4213909
Chemical ID:
4213909
Name [?]:
N'-[(2-chlorophenyl)methyl]-N-ethyl-oxamide
SMILES [?]:
CCNC(=O)C(=O)NCc1ccccc1Cl
InChi [?]:
InChI=1/C11H13ClN2O2/c1-2-13-10(15)11(16)14-7-8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,11,14,9,10,15,4,6,16,3,8,5,7/rA:16nCCNCOCONCCCCCCCCl/rB:s1;s2;s3;d4;s4;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13ClN2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21041 |
Area: | 436.314 |
Solvation: | -1.69743 |
Coulombic: | -48.6803 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 240.686 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.65 |
LogP (Chemaxon): | 1.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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