ChemDB: Chemical Search
Download
Chemical ID: 5757792
Chemical ID:
5757792
Name [?]:
N-(3-acetylphenyl)-4-chloro-benzamide
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H12ClNO2/c1-10(18)12-3-2-4-14(9-12)17-15(19)11-5-7-13(16)8-6-11/h2-9H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,14,18,15,17,9,2,13,4,16,8,11,19,10,3,12/E:(5,6)(7,8)/rA:19nCCOCCCCCCNCOCCCCCCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58247 |
Area: | 470.124 |
Solvation: | -3.17062 |
Coulombic: | -30.0191 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 273.714 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.46 |
LogP (Chemaxon): | 2.93 |
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 |
---|