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Chemical ID: 7475885
Chemical ID:
7475885
Name [?]:
2-[2-(2-bromo-4-chloro-phenoxy)acetyl]amino-N-phenethyl-benzamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)c2ccccc2NC(=O)COc3ccc(cc3Br)Cl
InChi [?]:
InChI=1/C23H20BrClN2O3/c24-19-14-17(25)10-11-21(19)30-15-22(28)27-20-9-5-4-8-18(20)23(29)26-13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,25,24,7,8,27,21,4,26,12,28,17,23,19,10,29,30,9,18,20,11,22/E:(2,3)(6,7)/rA:30nCCCCCCCCNCOCCCCCCNCOCOCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20BrClN2O3 |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3731 |
Area: | 692.149 |
Solvation: | -4.93064 |
Coulombic: | -52.5234 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 487.773 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.8 |
LogP (Chemaxon): | 5.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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