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Chemical ID: 7498379
Chemical ID:
7498379
Name [?]:
N-(4-chlorophenyl)-4-isopropoxy-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C16H16ClNO2/c1-11(2)20-15-9-3-12(4-10-15)16(19)18-14-7-5-13(17)6-8-14/h3-11H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,7,9,16,18,15,19,6,10,2,8,17,14,5,11,20,13,12,4/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:20nCCCOCCCCCCCONCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO2 |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.65396 |
Area: | 495.437 |
Solvation: | -2.73196 |
Coulombic: | -30.7632 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 289.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.41 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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