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Chemical ID: 4190988
Chemical ID:
4190988
Name [?]:
N-[2-[2-(2-chlorophenoxy)acetyl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccccc1NC(=O)COc2ccccc2Cl
InChi [?]:
InChI=1/C16H15ClN2O3/c1-11(20)18-13-7-3-4-8-14(13)19-16(21)10-22-15-9-5-2-6-12(15)17/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,7,8,18,20,6,9,17,14,2,21,5,10,16,12,22,4,11,3,13,15/rA:22nCCONCCCCCCNCOCOCCCCCCCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.6638 |
Area: | 525.385 |
Solvation: | -5.47082 |
Coulombic: | -47.9264 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.755 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.55 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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