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Chemical ID: 5874712
Chemical ID:
5874712
Name [?]:
N-[3-(2-chloroacetyl)aminopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
Cc1ccccc1C(=O)N(CCCNC(=O)CCl)c2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C20H20ClF3N2O2/c1-14-6-2-3-9-17(14)19(28)26(11-5-10-25-18(27)13-21)16-8-4-7-15(12-16)20(22,23)24/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,4,5,21,12,3,22,20,6,13,11,24,17,2,23,19,7,15,8,25,18,26,27,28,14,10,16,9/E:(22,23,24)/rA:28nCCCCCCCCONCCCNCOCClCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;d15;s15;s17;s10;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20ClF3N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0234 |
Area: | 613.354 |
Solvation: | -4.31046 |
Coulombic: | -57.8303 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 412.833 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.59 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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