Chemical ID: 7485641

CCCCCCOc1ccc(cc1)NC(=O)c2ccccc2Cl
Chemical ID:
7485641
Name [?]:
2-chloro-N-(4-hexoxyphenyl)-benzamide
SMILES [?]:
CCCCCCOc1ccc(cc1)NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C19H22ClNO2/c1-2-3-4-7-14-23-16-12-10-15(11-13-16)21-19(22)17-8-5-6-9-18(17)20/h5-6,8-13H,2-4,7,14H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,19,20,5,18,21,10,12,9,13,6,11,8,17,22,15,23,14,16,7/E:(10,11)(12,13)/rA:23nCCCCCCOCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22ClNO2
All Atoms:45
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0231
Area:572.097
Solvation:-3.27935
Coulombic:-31.2192
Bond Count [?]
All:24
Single:17
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:331.836
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.02
LogP (Chemaxon):5.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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