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Chemical ID: 4280697
Chemical ID:
4280697
Name [?]:
5-acetamido-2-chloro-benzamide
SMILES [?]:
CC(=O)Nc1ccc(c(c1)C(=O)N)Cl
InChi [?]:
InChI=1/C9H9ClN2O2/c1-5(13)12-6-2-3-8(10)7(4-6)9(11)14/h2-4H,1H3,(H2,11,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,6,7,10,2,5,9,8,11,14,13,4,3,12/rA:14nCCONCCCCCCCONCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;s8;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9ClN2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.13713 |
Area: | 372.966 |
Solvation: | -3.18702 |
Coulombic: | -44.0995 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.633 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.79 |
LogP (Chemaxon): | 0.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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