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Chemical ID: 5722840
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
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Experimental Annotations
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Descriptor Annotations
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