ChemDB: Chemical Search
Download
Chemical ID: 5255458
Chemical ID:
5255458
Name [?]:
N-[2-(4-chlorophenyl)-1,1-dimethyl-ethyl]butanamide
SMILES [?]:
CCCC(=O)NC(C)(C)Cc1ccc(cc1)Cl
InChi [?]:
InChI=1/C14H20ClNO/c1-4-5-13(17)16-14(2,3)10-11-6-8-12(15)9-7-11/h6-9H,4-5,10H2,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,8,9,2,3,12,16,13,15,10,11,14,4,7,17,6,5/E:(2,3)(6,7)(8,9)/rA:17nCCCCONCCCCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s7;s7;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20ClNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.63765 |
Area: | 453.713 |
Solvation: | -1.70517 |
Coulombic: | -22.7115 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 253.767 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.28 |
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 |
---|