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Chemical ID: 7482451
Chemical ID:
7482451
Name [?]:
4-butoxy-N-(4-chlorophenyl)-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H18ClNO2/c1-2-3-12-21-16-10-4-13(5-11-16)17(20)19-15-8-6-14(18)7-9-15/h4-11H,2-3,12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,8,10,17,19,16,20,7,11,4,9,18,15,6,12,21,14,13,5/E:(4,5)(6,7)(8,9)(10,11)/rA:21nCCCCOCCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;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: | 10.4076 |
Area: | 532.662 |
Solvation: | -2.90895 |
Coulombic: | -31.105 |
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: | 4.88 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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