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Chemical ID: 7297242
Chemical ID:
7297242
Name [?]:
4-(4-acetylphenoxy)-N-(3-chlorophenyl)-butanamide
SMILES [?]:
CC(=O)c1ccc(cc1)OCCCC(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C18H18ClNO3/c1-13(21)14-7-9-17(10-8-14)23-11-3-6-18(22)20-16-5-2-4-15(19)12-16/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,12,20,18,13,5,9,6,8,11,22,2,4,21,17,7,14,23,16,3,15,10/E:(7,8)(9,10)/rA:23nCCOCCCCCCOCCCCONCCCCCCCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClNO3 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.45217 |
Area: | 569.907 |
Solvation: | -4.79551 |
Coulombic: | -35.1319 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 331.793 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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