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Chemical ID: 6157537
Chemical ID:
6157537
Name [?]:
N-(3-chlorophenyl)-2-ethyl-butanamide
SMILES [?]:
CCC(CC)C(=O)Nc1cccc(c1)Cl
InChi [?]:
InChI=1/C12H16ClNO/c1-3-9(4-2)12(15)14-11-7-5-6-10(13)8-11/h5-9H,3-4H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,12,10,14,3,13,9,6,15,8,7/E:(1,2)(3,4)/rA:15nCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClNO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80435 |
Area: | 414.3 |
Solvation: | -1.55314 |
Coulombic: | -22.2822 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 225.714 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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