Chemical ID: 6154760

Cc1cc(ccc1Cl)OCCCC(=O)Nc2cccc(c2)Br
Chemical ID:
6154760
Name [?]:
N-(3-bromophenyl)-4-(4-chloro-3-methyl-phenoxy)-butanamide
SMILES [?]:
Cc1cc(ccc1Cl)OCCCC(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C17H17BrClNO2/c1-12-10-15(7-8-16(12)19)22-9-3-6-17(21)20-14-5-2-4-13(18)11-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,11,19,17,12,5,6,10,3,21,2,20,16,4,7,13,22,8,15,14,9/rA:22nCCCCCCCClOCCCCONCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17BrClNO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.3893
Area:559.977
Solvation:-3.61014
Coulombic:-28.3583
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:382.679
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.84
LogP (Chemaxon):5.09

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Experimental Annotations

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Descriptor Annotations

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