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Chemical ID: 7252244
Chemical ID:
7252244
Name [?]:
3-acetamido-N-(2-chloro-4-methyl-phenyl)-propanamide
SMILES [?]:
Cc1ccc(c(c1)Cl)NC(=O)CCNC(=O)C
InChi [?]:
InChI=1/C12H15ClN2O2/c1-8-3-4-11(10(13)7-8)15-12(17)5-6-14-9(2)16/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,17,3,4,12,13,7,2,15,6,5,10,8,14,9,16,11/rA:17nCCCCCCCClNCOCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15ClN2O2 |
All Atoms: | 32 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.39847 |
Area: | 459.294 |
Solvation: | -3.0839 |
Coulombic: | -39.8211 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.712 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.67 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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