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Chemical ID: 7253738
Chemical ID:
7253738
Name [?]:
2-[(5-chloro-2-methyl-phenyl)carbamoylmethoxy]benzamide
SMILES [?]:
Cc1ccc(cc1NC(=O)COc2ccccc2C(=O)N)Cl
InChi [?]:
InChI=1/C16H15ClN2O3/c1-10-6-7-11(17)8-13(10)19-15(20)9-22-14-5-3-2-4-12(14)16(18)21/h2-8H,9H2,1H3,(H2,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,3,4,6,11,2,5,18,7,13,9,19,22,21,8,10,20,12/rA:22nCCCCCCCNCOCOCCCCCCCONCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O3 |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.89528 |
Area: | 516.197 |
Solvation: | -6.00965 |
Coulombic: | -52.8896 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.755 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.41 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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