Chemical ID: 7482451

CCCCOc1ccc(cc1)C(=O)Nc2ccc(cc2)Cl
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

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