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Chemical ID: 7361048
Chemical ID:
7361048
Name [?]:
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
SMILES [?]:
CC(c1ccc(cc1Cl)Cl)NC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C15H12BrCl2NO/c1-9(11-7-6-10(17)8-14(11)18)19-15(20)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,5,4,7,2,6,3,14,19,8,12,20,10,9,11,13/rA:20cCCCCCCCCClClNCOCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s2;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12BrCl2NO |
All Atoms: | 32 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.646 |
Area: | 504.414 |
Solvation: | -1.96434 |
Coulombic: | -24.7463 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 373.071 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.7 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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