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Chemical ID: 7257513
Chemical ID:
7257513
Name [?]:
2-(4-chlorophenyl)-N-(2-propoxyphenyl)-acetamide
SMILES [?]:
CCCOc1ccccc1NC(=O)Cc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-2-11-21-16-6-4-3-5-15(16)19-17(20)12-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,6,16,20,17,19,3,14,15,18,10,5,12,21,11,13,4/E:(7,8)(9,10)/rA:21nCCCOCCCCCCNCOCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO2 |
All Atoms: | 39 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0632 |
Area: | 526.713 |
Solvation: | -3.10463 |
Coulombic: | -30.4147 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 303.783 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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