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Chemical ID: 7274490
Chemical ID:
7274490
Name [?]:
3-chloro-N-(ethylcarbamoylmethyl)benzamide
SMILES [?]:
CCNC(=O)CNC(=O)c1cccc(c1)Cl
InChi [?]:
InChI=1/C11H13ClN2O2/c1-2-13-10(15)7-14-11(16)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3,(H,13,15)(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,15,6,10,14,4,8,16,3,7,5,9/rA:16nCCNCOCNCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13ClN2O2 |
All Atoms: | 29 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77006 |
Area: | 444.841 |
Solvation: | -2.35098 |
Coulombic: | -43.863 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 240.686 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.64 |
LogP (Chemaxon): | 0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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