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Chemical ID: 6394476
Chemical ID:
6394476
Name [?]:
N-(4-acetylphenyl)-4-(4-chloro-2-methyl-phenoxy)-butanamide
SMILES [?]:
Cc1cc(ccc1OCCCC(=O)Nc2ccc(cc2)C(=O)C)Cl
InChi [?]:
InChI=1/C19H20ClNO3/c1-13-12-16(20)7-10-18(13)24-11-3-4-19(23)21-17-8-5-15(6-9-17)14(2)22/h5-10,12H,3-4,11H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,10,11,17,19,5,16,20,6,9,3,2,21,18,4,15,7,12,24,14,22,13,8/E:(5,6)(8,9)/rA:24nCCCCCCCOCCCCONCCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20ClNO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96481 |
Area: | 587.696 |
Solvation: | -4.72758 |
Coulombic: | -34.9661 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 345.82 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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