Chemical ID: 6826590

CCCNC(=O)C(=O)NCCc1ccccc1Cl
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue