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Chemical ID: 5788503
Chemical ID:
5788503
Name [?]:
N-(2-chlorophenyl)-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1ccccc1Cl
InChi [?]:
InChI=1/C11H14ClNO/c1-11(2,3)10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,10,12,9,13,8,5,2,14,7,6/E:(1,2,3)/rA:14nCCCCCONCCCCCCCl/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.17142 |
Area: | 381.56 |
Solvation: | -1.36758 |
Coulombic: | -22.7595 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 211.688 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.64 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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