Chemical ID: 6934734

CCC(C)(C)C(=O)Nc1cc(c(cc1Cl)Cl)Cl
Chemical ID:
6934734
Name [?]:
2,2-dimethyl-N-(2,4,5-trichlorophenyl)-butanamide
SMILES [?]:
CCC(C)(C)C(=O)Nc1cc(c(cc1Cl)Cl)Cl
InChi [?]:
InChI=1/C12H14Cl3NO/c1-4-12(2,3)11(17)16-10-6-8(14)7(13)5-9(10)15/h5-6H,4H2,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,5,2,13,10,12,11,14,9,6,3,16,17,15,8,7/E:(2,3)/rA:17nCCCCCCONCCCCCCClClCl/rB:s1;s2;s3;s3;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s12;s11;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14Cl3NO
All Atoms:31
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.2254
Area:464.573
Solvation:-1.38892
Coulombic:-22.7611
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.604
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.46
LogP (Chemaxon):4.53

Name Annotations

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Descriptor Annotations

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