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Chemical ID: 7305459
Chemical ID:
7305459
Name [?]:
2-(4-bromophenyl)amino-N-(5-chloro-2-methoxy-phenyl)-acetamide
SMILES [?]:
COc1ccc(cc1NC(=O)CNc2ccc(cc2)Br)Cl
InChi [?]:
InChI=1/C15H14BrClN2O2/c1-21-14-7-4-11(17)8-13(14)19-15(20)9-18-12-5-2-10(16)3-6-12/h2-8,18H,9H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,18,5,15,19,4,7,12,17,6,14,8,3,10,20,21,13,9,11,2/E:(2,3)(5,6)/rA:21nCOCCCCCCNCOCNCCCCCCBrCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s6;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14BrClN2O2 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8168 |
Area: | 526.449 |
Solvation: | -3.34441 |
Coulombic: | -41.1238 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.641 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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