Chemical ID: 5722840

c1ccc(c(c1)NC(=O)c2ccc(cc2)Br)N3CCOCC3
Chemical ID:
5722840
Name [?]:
4-bromo-N-(2-morpholinophenyl)-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(cc2)Br)N3CCOCC3
InChi [?]:
InChI=1/C17H17BrN2O2/c18-14-7-5-13(6-8-14)17(21)19-15-3-1-2-4-16(15)20-9-11-22-12-10-20/h1-8H,9-12H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,15,12,14,18,22,19,21,10,13,5,4,8,16,7,17,9,20/E:(5,6)(7,8)(9,10)(11,12)/rA:22nCCCCCCNCOCCCCCCBrNCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s4;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17BrN2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.43491
Area:506.988
Solvation:-3.2398
Coulombic:-37.9657
Bond Count [?]
All:24
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:361.233
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.6
LogP (Chemaxon):3.82

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue