Chemical ID: 4759888

CC(C)(C)C(=O)Nc1cc(c(cc1Cl)Cl)Cl
Chemical ID:
4759888
Name [?]:
2,2-dimethyl-N-(2,4,5-trichlorophenyl)-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1cc(c(cc1Cl)Cl)Cl
InChi [?]:
InChI=1/C11H12Cl3NO/c1-11(2,3)10(16)15-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,9,11,10,13,8,5,2,15,16,14,7,6/E:(1,2,3)/rA:16nCCCCCONCCCCCCClClCl/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s11;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12Cl3NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.69136
Area:443.759
Solvation:-1.40262
Coulombic:-22.3567
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:280.577
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.89
LogP (Chemaxon):4.13

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Descriptor Annotations

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