ChemDB: Chemical Search
Download
Chemical ID: 6431862
Chemical ID:
6431862
Name [?]:
N-[(4-chlorophenyl)-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)NC(c1ccc(cc1)Cl)NC(=O)C(C)(C)C
InChi [?]:
InChI=1/C17H25ClN2O2/c1-16(2,3)14(21)19-13(20-15(22)17(4,5)6)11-7-9-12(18)10-8-11/h7-10,13H,1-6H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,21,22,10,14,11,13,9,12,8,5,17,2,19,15,7,16,6,18/E:(1,2,3,4,5,6)(7,8)(9,10)(14,15)(16,17)(19,20)(21,22)/gE:(1,2)/rA:22nCCCCCONCCCCCCCClNCOCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s12;s8;s16;d17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25ClN2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2826 |
Area: | 536.64 |
Solvation: | -3.13336 |
Coulombic: | -43.6421 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 324.845 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.28 |
LogP (Chemaxon): | 4.59 |
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 |
---|