Chemical ID: 5536755

CN(CC(=O)Nc1ccc(cc1)OC)CC(=O)Nc2cccc(c2)Br
Chemical ID:
5536755
Name [?]:
2-[(3-bromophenyl)carbamoylmethyl-methyl-amino]-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
CN(CC(=O)Nc1ccc(cc1)OC)CC(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C18H20BrN3O3/c1-22(12-18(24)21-15-5-3-4-13(19)10-15)11-17(23)20-14-6-8-16(25-2)9-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,14,21,22,20,8,12,9,11,24,3,15,23,7,19,10,4,16,25,6,18,2,5,17,13/E:(6,7)(8,9)/rA:25cCNCCONCCCCCCOCCCONCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;s2;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20BrN3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:8.53692
Area:585.418
Solvation:-6.09853
Coulombic:-51.6251
Bond Count [?]
All:26
Single:18
Double:8
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:406.274
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.25
LogP (Chemaxon):2.86

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