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Chemical ID: 5536755
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
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Experimental Annotations
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Descriptor Annotations
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