Chemical ID: 7531935

c1cc(ccc1C(=O)NCC(=O)N2CCOCC2)Br
Chemical ID:
7531935
Name [?]:
4-bromo-N-(morpholinocarbonylmethyl)benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCC(=O)N2CCOCC2)Br
InChi [?]:
InChI=1/C13H15BrN2O3/c14-11-3-1-10(2-4-11)13(18)15-9-12(17)16-5-7-19-8-6-16/h1-4H,5-9H2,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,14,18,15,17,10,6,3,11,7,19,9,13,12,8,16/E:(1,2)(3,4)(5,6)(7,8)/rA:19nCCCCCCCONCCONCCOCCBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15BrN2O3
All Atoms:34
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:8.07102
Area:475.68
Solvation:-3.82098
Coulombic:-46.5011
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.14
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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