Chemical ID: 5457046

CCN(Cc1ccccc1)C(=O)C(C)Cl
Chemical ID:
5457046
Name [?]:
N-benzyl-2-chloro-N-ethyl-propanamide
SMILES [?]:
CCN(Cc1ccccc1)C(=O)C(C)Cl
InChi [?]:
InChI=1/C12H16ClNO/c1-3-14(12(15)10(2)13)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,8,7,9,6,10,4,13,5,11,15,3,12/E:(5,6)(7,8)/rA:15cCCNCCCCCCCCOCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3;d11;s11;s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.15919
Area:405.016
Solvation:-1.96622
Coulombic:-18.7319
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:225.714
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.52
LogP (Chemaxon):2.71

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