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Chemical ID: 7354210
Chemical ID:
7354210
Name [?]:
2-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]-N-(2,3,4-trifluorophenyl)-propanamide
SMILES [?]:
CC(C(=O)Nc1ccc(c(c1F)F)F)N(C)Cc2cc(ccc2OC)Br
InChi [?]:
InChI=1/C18H18BrF3N2O2/c1-10(18(25)23-14-6-5-13(20)16(21)17(14)22)24(2)9-11-8-12(19)4-7-15(11)26-3/h4-8,10H,9H2,1-3H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,16,25,21,8,7,22,19,17,2,18,20,9,6,23,10,11,3,26,14,13,12,5,15,4,24/rA:26cCCCONCCCCCCFFFNCCCCCCCCOCBr/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s10;s9;s2;s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18BrF3N2O2 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.11087 |
Area: | 545.402 |
Solvation: | -6.52417 |
Coulombic: | -42.8336 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.23 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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