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Chemical ID: 4279413
Chemical ID:
4279413
Name [?]:
4-[2-(4-bromophenoxy)acetyl]aminobenzamide
SMILES [?]:
c1cc(ccc1C(=O)N)NC(=O)COc2ccc(cc2)Br
InChi [?]:
InChI=1/C15H13BrN2O3/c16-11-3-7-13(8-4-11)21-9-14(19)18-12-5-1-10(2-6-12)15(17)20/h1-8H,9H2,(H2,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,17,19,2,4,16,20,13,6,18,3,15,11,7,21,9,10,12,8,14/E:(1,2)(3,4)(5,6)(7,8)/rA:21nCCCCCCCONNCOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13BrN2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.76542 |
Area: | 507.661 |
Solvation: | -4.9261 |
Coulombic: | -53.8844 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.179 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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