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Chemical ID: 4325498
Chemical ID:
4325498
Name [?]:
N-(4-bromophenyl)-3-chloro-4-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2ccc(cc2)Br
InChi [?]:
InChI=1/C15H13BrClNO2/c1-2-20-14-8-3-10(9-13(14)17)15(19)18-12-6-4-11(16)5-7-12/h3-9H,2H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,18,15,19,5,8,7,17,14,9,4,11,20,10,13,12,3/E:(4,5)(6,7)/rA:20nCCOCCCCCCClCONCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13BrClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55955 |
Area: | 505.147 |
Solvation: | -3.06912 |
Coulombic: | -30.0156 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 354.626 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.75 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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