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Chemical ID: 4220709
Chemical ID:
4220709
Name [?]:
N'-[(4-chlorophenyl)methyl]-N-isopropyl-oxamide
SMILES [?]:
CC(C)NC(=O)C(=O)NCc1ccc(cc1)Cl
InChi [?]:
InChI=1/C12H15ClN2O2/c1-8(2)15-12(17)11(16)14-7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,12,16,13,15,10,2,11,14,7,5,17,9,4,8,6/E:(1,2)(3,4)(5,6)/rA:17nCCCNCOCONCCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15ClN2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99814 |
Area: | 466.994 |
Solvation: | -1.67671 |
Coulombic: | -48.7474 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 254.712 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.11 |
LogP (Chemaxon): | 1.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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