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Chemical ID: 4206330
Chemical ID:
4206330
Name [?]:
3-acetamido-4-chloro-N-(p-tolyl)benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2ccc(c(c2)NC(=O)C)Cl
InChi [?]:
InChI=1/C16H15ClN2O2/c1-10-3-6-13(7-4-10)19-16(21)12-5-8-14(17)15(9-12)18-11(2)20/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,3,7,12,4,6,13,16,2,18,11,5,14,15,9,21,17,8,19,10/E:(3,4)(6,7)/rA:21nCCCCCCCNCOCCCCCCNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42872 |
Area: | 501.339 |
Solvation: | -3.10475 |
Coulombic: | -41.5174 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.755 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.31 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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