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Chemical ID: 7244448
Chemical ID:
7244448
Name [?]:
2-amino-N-(3-chloro-2-methyl-phenyl)-acetamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)CN
InChi [?]:
InChI=1/C9H11ClN2O/c1-6-7(10)3-2-4-8(6)12-9(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,12,2,7,3,10,8,13,9,11/rA:13nCCCCCCCClNCOCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11ClN2O |
All Atoms: | 24 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.75727 |
Area: | 363.15 |
Solvation: | -2.32148 |
Coulombic: | -32.7241 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.649 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.02 |
LogP (Chemaxon): | 0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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