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Chemical ID: 4219935
Chemical ID:
4219935
Name [?]:
N-(4-acetylphenyl)-4-chloro-benzamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H12ClNO2/c1-10(18)11-4-8-14(9-5-11)17-15(19)12-2-6-13(16)7-3-12/h2-9H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,14,18,5,9,15,17,6,8,2,4,13,16,7,11,19,10,3,12/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCCOCCCCCCNCOCCCCCCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;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: | 8.89541 |
Area: | 469.911 |
Solvation: | -2.85236 |
Coulombic: | -30.3038 |
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
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Experimental Annotations
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Descriptor Annotations
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