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Chemical ID: 7091876
Chemical ID:
7091876
Name [?]:
N-(4-amino-2-bromo-phenyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2Br)N
InChi [?]:
InChI=1/C13H11BrN2O/c14-11-8-10(15)6-7-12(11)16-13(17)9-4-2-1-3-5-9/h1-8H,15H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,11,14,4,13,15,10,7,16,17,9,8/E:(2,3)(4,5)/rA:17nCCCCCCCONCCCCCCBrN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11BrN2O |
All Atoms: | 28 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85477 |
Area: | 421.836 |
Solvation: | -1.69112 |
Coulombic: | -39.6473 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 291.143 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.55 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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