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Chemical ID: 4770936
Chemical ID:
4770936
Name [?]:
N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)NC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChi [?]:
InChI=1/C14H14F6N2O2/c1-12(2,3)10(23)22-11(24)21-9-5-7(13(15,16)17)4-8(6-9)14(18,19)20/h4-6H,1-3H3,(H2,21,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,12,16,13,15,11,5,8,2,21,17,22,23,24,18,19,20,10,7,6,9/E:(1,2,3)(5,6)(7,8)(13,14)(15,16,17,18,19,20)/rA:24nCCCCCONCONCCCCCCCFFFCFFF/rB:s1;s2;s2;s2;d5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s17;s17;s13;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14F6N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.32949 |
Area: | 499.102 |
Solvation: | -5.14805 |
Coulombic: | -77.2125 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 356.264 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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