ChemDB: Chemical Search
Download
Chemical ID: 6925152
Chemical ID:
6925152
Name [?]:
N-[(2-chlorophenyl)methyl]-2-methyl-butanamide
SMILES [?]:
CCC(C)C(=O)NCc1ccccc1Cl
InChi [?]:
InChI=1/C12H16ClNO/c1-3-9(2)12(15)14-8-10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,2,11,12,10,13,8,3,9,14,5,15,7,6/rA:15cCCCCCONCCCCCCCCl/rB:s1;s2;s3;s3;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClNO |
All Atoms: | 31 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.72102 |
Area: | 414.519 |
Solvation: | -1.64197 |
Coulombic: | -23.2223 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 225.714 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.16 |
LogP (Chemaxon): | 3.1 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|